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Benzothiadiazoler

Organiske heterocykliske forbindelser, der består af en benzen fusioneret med en thiadiazolring; thiadiazoler har en femleddet ring, der indeholder to nitrogenatomer, et svovlatom og to dobbeltbindinger.

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1

1,2,3-Benzothiadiazol-5-carbonylchlorid, 95 %, Thermo Scientific™

CAS: 321309-32-4 Molekylær formel: C7H3ClN2OS Molekylvægt (g/mol): 198.624 InChI nøgle: VOSTUOLSYXVSND-UHFFFAOYSA-N Synonym: 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride PubChem CID: 2735457 IUPAC navn: 1,2,3-benzothiadiazol-5-carbonylchlorid SMIL: C1=CC2=C(C=C1C(=O)Cl)N=NS2

PubChem CID 2735457
Molekylvægt (g/mol) 198.624
CAS 321309-32-4
Synonym 1,2,3-benzothiadiazole-5-carbonylchloride,benzo d 1,2,3-thiadiazole-5-carbonyl chloride,benzo d 1,2,3 thiadiazole-5-carbonyl chloride
SMIL C1=CC2=C(C=C1C(=O)Cl)N=NS2
IUPAC navn 1,2,3-benzothiadiazol-5-carbonylchlorid
InChI nøgle VOSTUOLSYXVSND-UHFFFAOYSA-N
Molekylær formel C7H3ClN2OS
2

2,1,3-benzothiadiazol-5-carbaldehyd, 97 %, Thermo Scientific™

CAS: 71605-72-6 Molekylær formel: C7H4N2OS Molekylvægt (g/mol): 164.182 MDL nummer: MFCD00457949 InChI nøgle: GEFIFDVQYCPLHC-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde PubChem CID: 2776290 IUPAC navn: 2,1,3-benzothiadiazol-5-carbaldehyd SMIL: C1=CC2=NSN=C2C=C1C=O

MDL nummer MFCD00457949
PubChem CID 2776290
Molekylvægt (g/mol) 164.182
CAS 71605-72-6
Synonym benzo c 1,2,5 thiadiazole-5-carbaldehyde,2,1,3-benzothiadiazole-5-carboxaldehyde,benzo 1,2,5 thiadiazole-5-carbaldehyde,5-formyl-2,1,3-benzothiadiazole,5-formylbenzo-2,1,3-thiadiazole,benzo 1,2,5 thiadiazol-5-carbaldehyde,benzo 1,2,5 thiadiazole-5-carboxaldehyde
SMIL C1=CC2=NSN=C2C=C1C=O
IUPAC navn 2,1,3-benzothiadiazol-5-carbaldehyd
InChI nøgle GEFIFDVQYCPLHC-UHFFFAOYSA-N
Molekylær formel C7H4N2OS
3

2,1,3-benzothiadiazol-4-carbaldehyd, 95 %, Thermo Scientific™

CAS: 5170-68-3 Molekylær formel: C7H4N2OS Molekylvægt (g/mol): 164.182 MDL nummer: MFCD02681902 InChI nøgle: ANVJARPTPIVPRC-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carboxaldehyde,tos-bb-1233,2,1,3-benzothiadiazol-4-aldehyde,2,1,3-benzothiadiazole-4-aldehyde,2,1,3-benzothiadiazol-4-carboxaldehyde,benzo c 1,2,5-thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carbaldehyde PubChem CID: 2776283 IUPAC navn: 2,1,3-benzothiadiazol-4-carbaldehyd SMIL: C1=CC2=NSN=C2C(=C1)C=O

MDL nummer MFCD02681902
PubChem CID 2776283
Molekylvægt (g/mol) 164.182
CAS 5170-68-3
Synonym benzo c 1,2,5 thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carboxaldehyde,tos-bb-1233,2,1,3-benzothiadiazol-4-aldehyde,2,1,3-benzothiadiazole-4-aldehyde,2,1,3-benzothiadiazol-4-carboxaldehyde,benzo c 1,2,5-thiadiazole-4-carbaldehyde,2,1,3-benzothiadiazole-4-carbaldehyde
SMIL C1=CC2=NSN=C2C(=C1)C=O
IUPAC navn 2,1,3-benzothiadiazol-4-carbaldehyd
InChI nøgle ANVJARPTPIVPRC-UHFFFAOYSA-N
Molekylær formel C7H4N2OS
4

2,1,3-Benzothiadiazol-5-carboxylsyre, 97 %, Thermo Scientific™

CAS: 16405-98-4 Molekylær formel: C7H4N2O2S Molekylvægt (g/mol): 180.181 MDL nummer: MFCD01647555 InChI nøgle: YHMXJZVGBCACMT-UHFFFAOYSA-N PubChem CID: 602011 IUPAC navn: 2,1,3-benzothiadiazol-5-carboxylsyre SMIL: C1=CC2=NSN=C2C=C1C(=O)O

MDL nummer MFCD01647555
PubChem CID 602011
Molekylvægt (g/mol) 180.181
CAS 16405-98-4
SMIL C1=CC2=NSN=C2C=C1C(=O)O
IUPAC navn 2,1,3-benzothiadiazol-5-carboxylsyre
InChI nøgle YHMXJZVGBCACMT-UHFFFAOYSA-N
Molekylær formel C7H4N2O2S
5

4-brom-2,1,3-benzothiadiazol, 97 %, Thermo Scientific™

CAS: 22034-13-5 Molekylær formel: C6H3BrN2S Molekylvægt (g/mol): 215.068 MDL nummer: MFCD00614355 InChI nøgle: KYKBVPGDKGABHY-UHFFFAOYSA-N Synonym: 4-bromobenzo c 1,2,5 thiadiazole,4-bromo-benzo 1,2,5 thiadiazole,4-bromobenzo c 1,2,5-thiadiazole,zlchem 1006,4-bromo-benz-2,1,3-thiadiazole,2,1,3-benzothiadiazole,4-bromo PubChem CID: 736492 IUPAC navn: 4-brom-2,1,3-benzothiadiazol SMIL: C1=CC2=NSN=C2C(=C1)Br

MDL nummer MFCD00614355
PubChem CID 736492
Molekylvægt (g/mol) 215.068
CAS 22034-13-5
Synonym 4-bromobenzo c 1,2,5 thiadiazole,4-bromo-benzo 1,2,5 thiadiazole,4-bromobenzo c 1,2,5-thiadiazole,zlchem 1006,4-bromo-benz-2,1,3-thiadiazole,2,1,3-benzothiadiazole,4-bromo
SMIL C1=CC2=NSN=C2C(=C1)Br
IUPAC navn 4-brom-2,1,3-benzothiadiazol
InChI nøgle KYKBVPGDKGABHY-UHFFFAOYSA-N
Molekylær formel C6H3BrN2S
6

5-brom-2,1,3-benzothiadiazol, 97 %, Thermo Scientific™

CAS: 1753-75-9 Molekylær formel: C6H3BrN2S Molekylvægt (g/mol): 215.068 MDL nummer: MFCD00460091 InChI nøgle: LLCRUZDFDGTAAN-UHFFFAOYSA-N Synonym: 5-bromobenzo c 1,2,5 thiadiazole,5-bromobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole,5-bromo,5-bromobenzo 1,2,5 thiadiazole,2,1,3-benzothiadiazole, 5-bromo,pubchem12684,acmc-209ea1,amth068,5-bromobenz-2,1,3-thiadiazole,5-bromo-benzo 1,2,5 thiadiazole PubChem CID: 2776295 IUPAC navn: 5-brom-2,1,3-benzothiadiazol SMIL: C1=CC2=NSN=C2C=C1Br

MDL nummer MFCD00460091
PubChem CID 2776295
Molekylvægt (g/mol) 215.068
CAS 1753-75-9
Synonym 5-bromobenzo c 1,2,5 thiadiazole,5-bromobenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole,5-bromo,5-bromobenzo 1,2,5 thiadiazole,2,1,3-benzothiadiazole, 5-bromo,pubchem12684,acmc-209ea1,amth068,5-bromobenz-2,1,3-thiadiazole,5-bromo-benzo 1,2,5 thiadiazole
SMIL C1=CC2=NSN=C2C=C1Br
IUPAC navn 5-brom-2,1,3-benzothiadiazol
InChI nøgle LLCRUZDFDGTAAN-UHFFFAOYSA-N
Molekylær formel C6H3BrN2S
7

4-iod-2,1,3-benzothiadiazol, 97 %, Thermo Scientific™

CAS: 352018-95-2 Molekylær formel: C6H3IN2S Molekylvægt (g/mol): 262.07 MDL nummer: MFCD02681904 InChI nøgle: ROPRWVSWECJQIC-UHFFFAOYSA-N Synonym: 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole PubChem CID: 2776287 IUPAC navn: 4-iod-2,1,3-benzothiadiazol SMIL: IC1=CC=CC2=NSN=C12

MDL nummer MFCD02681904
PubChem CID 2776287
Molekylvægt (g/mol) 262.07
CAS 352018-95-2
Synonym 4-iodobenzo c 1,2,5 thiadiazole,2,1,3-benzothiadiazole,4-iodo,4-iodo-benzo 1,2,5 thiadiazole,4-iodanyl-2,1,3-benzothiadiazole,4-iodobenzo c 1,2,5-thiadiazole,4-iodo-2,1,3-benzothiadiazole
SMIL IC1=CC=CC2=NSN=C12
IUPAC navn 4-iod-2,1,3-benzothiadiazol
InChI nøgle ROPRWVSWECJQIC-UHFFFAOYSA-N
Molekylær formel C6H3IN2S
8

2,1,3-Benzothiadiazol-4-sulfonylchlorid, 97 %, Thermo Scientific™

CAS: 73713-79-8 Molekylær formel: C6H3ClN2O2S2 Molekylvægt (g/mol): 234.67 MDL nummer: MFCD00068049 InChI nøgle: CXAICGCTHOWKPP-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-sulfonyl chloride,benzo 2,1,3 thiadiazole-4-sulfonyl chloride,2,1,3-benzothiadiazole-4-sulphonyl chloride,2,1,3-benzothiadiazol-4-sulfonyl chloride,4-chlorosulfonyl-2,1,3-benzothiadiazole,2,1,3-benzothiadiazole, 4-chlorosulfonyl,2,1,3-benzothiadiazole-4-sulfonylchloride,benzo-2,1,3-thiadiazole-4-sulfonyl chloride,2??,1,3-benzothiadiazole-4-sulfonyl chloride,benzo-2,1,3-thiadiazole-4-sulphonyl chloride PubChem CID: 2735459 IUPAC navn: 2,1,3-benzothiadiazol-4-sulfonylchlorid SMIL: ClS(=O)(=O)C1=CC=CC2=NSN=C12

MDL nummer MFCD00068049
PubChem CID 2735459
Molekylvægt (g/mol) 234.67
CAS 73713-79-8
Synonym benzo c 1,2,5 thiadiazole-4-sulfonyl chloride,benzo 2,1,3 thiadiazole-4-sulfonyl chloride,2,1,3-benzothiadiazole-4-sulphonyl chloride,2,1,3-benzothiadiazol-4-sulfonyl chloride,4-chlorosulfonyl-2,1,3-benzothiadiazole,2,1,3-benzothiadiazole, 4-chlorosulfonyl,2,1,3-benzothiadiazole-4-sulfonylchloride,benzo-2,1,3-thiadiazole-4-sulfonyl chloride,2??,1,3-benzothiadiazole-4-sulfonyl chloride,benzo-2,1,3-thiadiazole-4-sulphonyl chloride
SMIL ClS(=O)(=O)C1=CC=CC2=NSN=C12
IUPAC navn 2,1,3-benzothiadiazol-4-sulfonylchlorid
InChI nøgle CXAICGCTHOWKPP-UHFFFAOYSA-N
Molekylær formel C6H3ClN2O2S2
9

2,1,3-Benzothiadiazol-4-carboxylsyre, 97 %, Thermo Scientific™

CAS: 3529-57-5 Molekylær formel: C7H4N2O2S Molekylvægt (g/mol): 180.181 MDL nummer: MFCD05664666 InChI nøgle: ZGDGZMOKXTUMEV-UHFFFAOYSA-N Synonym: benzo c 1,2,5 thiadiazole-4-carboxylic acid,4-carboxybenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole-4-carboxylicacid,1,2,3-benzothiadiazole-4-carboxylic acid,benzo 1,2,5 thiadiazole-4-carboxylic acid,benzo c 1,2,5-thiadiazole-4-carboxylic acid,2,1,3-benzothiadiazole-2-siv-4-carboxylic acid,2??,1,3-benzothiadiazole-4-carboxylic acid PubChem CID: 2795202 IUPAC navn: 2,1,3-benzothiadiazol-4-carboxylsyre SMIL: C1=CC2=NSN=C2C(=C1)C(=O)O

MDL nummer MFCD05664666
PubChem CID 2795202
Molekylvægt (g/mol) 180.181
CAS 3529-57-5
Synonym benzo c 1,2,5 thiadiazole-4-carboxylic acid,4-carboxybenzo-2,1,3-thiadiazole,2,1,3-benzothiadiazole-4-carboxylicacid,1,2,3-benzothiadiazole-4-carboxylic acid,benzo 1,2,5 thiadiazole-4-carboxylic acid,benzo c 1,2,5-thiadiazole-4-carboxylic acid,2,1,3-benzothiadiazole-2-siv-4-carboxylic acid,2??,1,3-benzothiadiazole-4-carboxylic acid
SMIL C1=CC2=NSN=C2C(=C1)C(=O)O
IUPAC navn 2,1,3-benzothiadiazol-4-carboxylsyre
InChI nøgle ZGDGZMOKXTUMEV-UHFFFAOYSA-N
Molekylær formel C7H4N2O2S
10

2,1,3-Benzothiadiazol-5-yl isothiocyanat, 97 %, Thermo Scientific™

CAS: 337508-62-0 Molekylær formel: C7H3N3S2 Molekylvægt (g/mol): 193.242 MDL nummer: MFCD02681895 InChI nøgle: HHDWFDQYUFKNCO-UHFFFAOYSA-N PubChem CID: 2776292 IUPAC navn: 5-isothiocyanato-2,1,3-benzothiadiazol SMIL: C1=CC2=NSN=C2C=C1N=C=S

MDL nummer MFCD02681895
PubChem CID 2776292
Molekylvægt (g/mol) 193.242
CAS 337508-62-0
SMIL C1=CC2=NSN=C2C=C1N=C=S
IUPAC navn 5-isothiocyanato-2,1,3-benzothiadiazol
InChI nøgle HHDWFDQYUFKNCO-UHFFFAOYSA-N
Molekylær formel C7H3N3S2
11

2,1,3-Benzothiadiazole, 98%

CAS: 273-13-2 Molekylær formel: C6H4N2S Molekylvægt (g/mol): 136.18 InChI nøgle: PDQRQJVPEFGVRK-UHFFFAOYSA-N Synonym: piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole PubChem CID: 67502 IUPAC navn: 2,1,3-benzothiadiazol SMIL: C1=CC2=NSN=C2C=C1

PubChem CID 67502
Molekylvægt (g/mol) 136.18
CAS 273-13-2
Synonym piazthiole,benzisothiadiazole,benzo 1,2,5 thiadiazole,benzo c 1,2,5 thiadiazole,2-thia-1,3-diaza-2h-isoindene,3,4-benzo-1,2,5-thiadiazole,2??,1,3-benzothiadiazole,2,3-benzothiadiazole,3,2,5-thiadiazole,benzo-1,2,5-thiadiazole
SMIL C1=CC2=NSN=C2C=C1
IUPAC navn 2,1,3-benzothiadiazol
InChI nøgle PDQRQJVPEFGVRK-UHFFFAOYSA-N
Molekylær formel C6H4N2S
12

Methyl-1,2,3-benzothiadiazol-5-carboxylat, 97 %, Thermo Scientific™

CAS: 23616-15-1 Molekylær formel: C8H6N2O2S Molekylvægt (g/mol): 194.208 MDL nummer: MFCD01566550 InChI nøgle: JCRFJMHWEAYQAA-UHFFFAOYSA-N Synonym: methyl benzo d 1,2,3 thiadiazole-5-carboxylate,methyl1,2,3-benzothiadiazole-5-carboxylate,5-carbomethoxy-1,2,3-benzothiadiazole,maybridge1_005151,5-methoxycarbonyl-1,2,3-benzothiadiazole,methyl benzo 1,2,3 thiadiazole-5-carboxylate,methylbenzo d 1,2,3 thiadiazole-5-carboxylate,4-methylbenzo d 1,2,3 thiadiazole-5-carboxylate,1,2,3-benzothiadiazole-5-carboxylic acid methyl ester,1,2,3-benzothiadiazole-5-carboxylicacid, methyl ester PubChem CID: 2736813 IUPAC navn: methyl-1,2,3-benzothiadiazol-5-carboxylat SMIL: COC(=O)C1=CC2=C(C=C1)SN=N2

MDL nummer MFCD01566550
PubChem CID 2736813
Molekylvægt (g/mol) 194.208
CAS 23616-15-1
Synonym methyl benzo d 1,2,3 thiadiazole-5-carboxylate,methyl1,2,3-benzothiadiazole-5-carboxylate,5-carbomethoxy-1,2,3-benzothiadiazole,maybridge1_005151,5-methoxycarbonyl-1,2,3-benzothiadiazole,methyl benzo 1,2,3 thiadiazole-5-carboxylate,methylbenzo d 1,2,3 thiadiazole-5-carboxylate,4-methylbenzo d 1,2,3 thiadiazole-5-carboxylate,1,2,3-benzothiadiazole-5-carboxylic acid methyl ester,1,2,3-benzothiadiazole-5-carboxylicacid, methyl ester
SMIL COC(=O)C1=CC2=C(C=C1)SN=N2
IUPAC navn methyl-1,2,3-benzothiadiazol-5-carboxylat
InChI nøgle JCRFJMHWEAYQAA-UHFFFAOYSA-N
Molekylær formel C8H6N2O2S
14

5-(Bromomethyl)-2,1,3-benzothiadiazole, 95+%, Thermo Scientific™

CAS: 65858-50-6 Molekylær formel: C7H5BrN2S Molekylvægt (g/mol): 229.095 InChI nøgle: JEPACAAYCVWCFI-UHFFFAOYSA-N PubChem CID: 591004 IUPAC navn: 5-(bromomethyl)-2,1,3-benzothiadiazole SMIL: C1=CC2=NSN=C2C=C1CBr

PubChem CID 591004
Molekylvægt (g/mol) 229.095
CAS 65858-50-6
SMIL C1=CC2=NSN=C2C=C1CBr
IUPAC navn 5-(bromomethyl)-2,1,3-benzothiadiazole
InChI nøgle JEPACAAYCVWCFI-UHFFFAOYSA-N
Molekylær formel C7H5BrN2S
15

2,1,3-Benzothiadiazol-4-yl isocyanate, 97%, Thermo Scientific™

CAS: 342411-14-7 Molekylær formel: C7H3N3OS Molekylvægt (g/mol): 177.181 MDL nummer: MFCD02681903 InChI nøgle: HPZZFYLZFYDNMA-UHFFFAOYSA-N PubChem CID: 2776284 IUPAC navn: 4-isocyanato-2,1,3-benzothiadiazole SMIL: C1=CC2=NSN=C2C(=C1)N=C=O

MDL nummer MFCD02681903
PubChem CID 2776284
Molekylvægt (g/mol) 177.181
CAS 342411-14-7
SMIL C1=CC2=NSN=C2C(=C1)N=C=O
IUPAC navn 4-isocyanato-2,1,3-benzothiadiazole
InChI nøgle HPZZFYLZFYDNMA-UHFFFAOYSA-N
Molekylær formel C7H3N3OS