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Sulfanylbenzoesyrer og derivater

Organiske forbindelser, der består af benzoesyre med en sulfanylgruppesubstitution; en sulfanylgruppe er et svovlatom bundet til et hydrogenatom via en enkeltbinding. Omfatter forbindelser, der er direkte afledt af sulfanylbenzoesyre.

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1

3-(Methylthio)benzoic acid, 97%

CAS: 825-99-0 Molekylær formel: C8H8O2S Molekylvægt (g/mol): 168.21 MDL nummer: MFCD00156993 InChI nøgle: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC navn: 3-methylsulfanylbenzoesyre SMIL: CSC1=CC=CC(=C1)C(=O)O

MDL nummer MFCD00156993
PubChem CID 220329
Molekylvægt (g/mol) 168.21
CAS 825-99-0
Synonym 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679
SMIL CSC1=CC=CC(=C1)C(=O)O
IUPAC navn 3-methylsulfanylbenzoesyre
InChI nøgle PZGADOOBMVLBJE-UHFFFAOYSA-N
Molekylær formel C8H8O2S
2

2-(Methylthio)benzoic acid, 98+%

CAS: 3724-10-5 MDL nummer: MFCD00029934

MDL nummer MFCD00029934
CAS 3724-10-5
3

3-(Trifluoromethylthio)benzoic acid, 97%

CAS: 946-65-6 Molekylær formel: C8H4F3O2S Molekylvægt (g/mol): 221.17 MDL nummer: MFCD00236337 InChI nøgle: IVGAPIVNQABETQ-UHFFFAOYSA-M Synonym: 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide PubChem CID: 688330 IUPAC navn: 3-(trifluormethylsulfanyl)benzoesyre SMIL: [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1

MDL nummer MFCD00236337
PubChem CID 688330
Molekylvægt (g/mol) 221.17
CAS 946-65-6
Synonym 3-trifluoromethylthio benzoic acid,3-trifluoromethyl thio benzoic acid,3-trifluoromethyl sulfanyl benzoic acid,3-trifluoromethylsulfanyl benzoic acid,3-trifluoromethylsulfanyl-benzoic acid,benzoic acid, 3-trifluoromethyl thio,3-trifluoromethyl sulphanyl benzoic acid,3-trifluoromethylthio benzoicacid,3-carboxyphenyl trifluoromethyl sulphide
SMIL [O-]C(=O)C1=CC=CC(SC(F)(F)F)=C1
IUPAC navn 3-(trifluormethylsulfanyl)benzoesyre
InChI nøgle IVGAPIVNQABETQ-UHFFFAOYSA-M
Molekylær formel C8H4F3O2S
4

4-Mercaptobenzoesyre, 90 %, Thermo Scientific Chemicals

CAS: 1074-36-8 Molekylær formel: C7H6O2S Molekylvægt (g/mol): 154.18 MDL nummer: MFCD00016617 InChI nøgle: LMJXSOYPAOSIPZ-UHFFFAOYSA-N Synonym: 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol PubChem CID: 95738 IUPAC navn: 4-sulfanylbenzoesyre SMIL: OC(=O)C1=CC=C(S)C=C1

MDL nummer MFCD00016617
PubChem CID 95738
Molekylvægt (g/mol) 154.18
CAS 1074-36-8
Synonym 4-mercaptobenzoic acid,4-mercaptobenzoate,benzoic acid, 4-mercapto,4-mercapto-benzoic acid,4-mercapto benzoic acid,4-thiobenzoic acid,p-mercaptobenzoic acid,benzoic acid, p-mercapto,para-mercaptobenzoate,paracarboxythiophenol
SMIL OC(=O)C1=CC=C(S)C=C1
IUPAC navn 4-sulfanylbenzoesyre
InChI nøgle LMJXSOYPAOSIPZ-UHFFFAOYSA-N
Molekylær formel C7H6O2S
5

4-(methylthio)benzoesyre, 97 %, Thermo Scientific Chemicals

CAS: 13205-48-6 Molekylær formel: C8H8O2S Molekylvægt (g/mol): 168.21 MDL nummer: MFCD00002555 InChI nøgle: KWHCPERWLHBLOT-UHFFFAOYSA-N Synonym: 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa PubChem CID: 83230 IUPAC navn: 4-methylsulfanylbenzoesyre SMIL: CSC1=CC=C(C=C1)C(O)=O

MDL nummer MFCD00002555
PubChem CID 83230
Molekylvægt (g/mol) 168.21
CAS 13205-48-6
Synonym 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa
SMIL CSC1=CC=C(C=C1)C(O)=O
IUPAC navn 4-methylsulfanylbenzoesyre
InChI nøgle KWHCPERWLHBLOT-UHFFFAOYSA-N
Molekylær formel C8H8O2S
6

4-Mercaptobenzoic Acid, TRC

CAS: 1074-36-8 Molekylær formel: C7 H6 O2 S Molekylvægt (g/mol): 154.19 IUPAC navn: 4-sulfanylbenzoic acid SMIL: OC(=O)c1ccc(S)cc1

Molekylvægt (g/mol) 154.19
CAS 1074-36-8
SMIL OC(=O)c1ccc(S)cc1
IUPAC navn 4-sulfanylbenzoic acid
Molekylær formel C7 H6 O2 S
7

4-Mercaptobenzoic Acid, Technical Grade, TRC

CAS: 1074-36-8 Molekylær formel: C7 H6 O2 S Molekylvægt (g/mol): 154.19 IUPAC navn: 4-sulfanylbenzoic acid SMIL: OC(=O)c1ccc(S)cc1

Molekylvægt (g/mol) 154.19
CAS 1074-36-8
SMIL OC(=O)c1ccc(S)cc1
IUPAC navn 4-sulfanylbenzoic acid
Molekylær formel C7 H6 O2 S
8

Methyl 2-(methylthio)benzoate, 98%

CAS: 3704-28-7 Molekylær formel: C9H10O2S Molekylvægt (g/mol): 182.237 MDL nummer: MFCD00068039 InChI nøgle: CPQDZXPLQXZJGF-UHFFFAOYSA-N PubChem CID: 279586 IUPAC navn: methyl-2-methylsulfanylbenzoat SMIL: COC(=O)C1=CC=CC=C1SC

MDL nummer MFCD00068039
PubChem CID 279586
Molekylvægt (g/mol) 182.237
CAS 3704-28-7
SMIL COC(=O)C1=CC=CC=C1SC
IUPAC navn methyl-2-methylsulfanylbenzoat
InChI nøgle CPQDZXPLQXZJGF-UHFFFAOYSA-N
Molekylær formel C9H10O2S
9

Methylthiosalicylat, 97 %, Thermo Scientific Chemicals

CAS: 4892-02-8 MDL nummer: MFCD00060678

MDL nummer MFCD00060678
CAS 4892-02-8
10

1,1-dichlordimethylether, 97 %, Thermo Scientific Chemicals

CAS: 4885-02-3 Molekylær formel: C2H4Cl2O Molekylvægt (g/mol): 114.96 MDL nummer: MFCD00000828 InChI nøgle: GRTGGSXWHGKRSB-UHFFFAOYSA-N SMIL: COC(Cl)Cl

MDL nummer MFCD00000828
Molekylvægt (g/mol) 114.96
CAS 4885-02-3
SMIL COC(Cl)Cl
InChI nøgle GRTGGSXWHGKRSB-UHFFFAOYSA-N
Molekylær formel C2H4Cl2O
11

Methylthiosalicylat, 97 %, Thermo Scientific Chemicals

CAS: 4892-02-8 Molekylær formel: C8H8O2S Molekylvægt (g/mol): 168.22 MDL nummer: MFCD00060678 InChI nøgle: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC navn: methyl-2-sulfanylbenzoat SMIL: COC(=O)C1=CC=CC=C1S

MDL nummer MFCD00060678
PubChem CID 21009
Molekylvægt (g/mol) 168.22
CAS 4892-02-8
Synonym methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester
SMIL COC(=O)C1=CC=CC=C1S
IUPAC navn methyl-2-sulfanylbenzoat
InChI nøgle BAQGCWNPCFABAY-UHFFFAOYSA-N
Molekylær formel C8H8O2S
12

2,2'-Dithiosalicylic acid, 96%

CAS: 119-80-2 Molekylær formel: C14H10O4S2 Molekylvægt (g/mol): 306.35 MDL nummer: MFCD00002465 InChI nøgle: LBEMXJWGHIEXRA-UHFFFAOYSA-N Synonym: 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid PubChem CID: 8409 IUPAC navn: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid SMIL: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O

MDL nummer MFCD00002465
PubChem CID 8409
Molekylvægt (g/mol) 306.35
CAS 119-80-2
Synonym 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid
SMIL C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
IUPAC navn 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
InChI nøgle LBEMXJWGHIEXRA-UHFFFAOYSA-N
Molekylær formel C14H10O4S2
13

2,2'-Dithiosalicylic acid, 98%

CAS: 119-80-2 Molekylær formel: C14H10O4S2 Molekylvægt (g/mol): 306.34 MDL nummer: MFCD00002465 InChI nøgle: LBEMXJWGHIEXRA-UHFFFAOYSA-N Synonym: 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid PubChem CID: 8409 IUPAC navn: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid SMIL: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O

MDL nummer MFCD00002465
PubChem CID 8409
Molekylvægt (g/mol) 306.34
CAS 119-80-2
Synonym 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid
SMIL C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
IUPAC navn 2-[(2-carboxyphenyl)disulfanyl]benzoic acid
InChI nøgle LBEMXJWGHIEXRA-UHFFFAOYSA-N
Molekylær formel C14H10O4S2
14

4-(Trifluoromethylthio)benzoic acid, 97%, Thermo Scientific™

CAS: 330-17-6 Molekylær formel: C8H5F3O2S Molekylvægt (g/mol): 222.181 MDL nummer: MFCD00040906 InChI nøgle: UMOGQQWVQUQTQA-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid PubChem CID: 2777858 IUPAC navn: 4-(trifluoromethylsulfanyl)benzoic acid SMIL: C1=CC(=CC=C1C(=O)O)SC(F)(F)F

MDL nummer MFCD00040906
PubChem CID 2777858
Molekylvægt (g/mol) 222.181
CAS 330-17-6
Synonym 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid
SMIL C1=CC(=CC=C1C(=O)O)SC(F)(F)F
IUPAC navn 4-(trifluoromethylsulfanyl)benzoic acid
InChI nøgle UMOGQQWVQUQTQA-UHFFFAOYSA-N
Molekylær formel C8H5F3O2S
15

3-(Pentafluorothio)benzoic acid, 97%, Thermo Scientific™

CAS: 833-96-5 Molekylær formel: C7H5F5O2S Molekylvægt (g/mol): 248.167 MDL nummer: MFCD03788519 InChI nøgle: AKFDIYXSRGLRAB-UHFFFAOYSA-N Synonym: 3-pentafluorosulfanyl benzoic acid,3-pentafluorothio benzoic acid,3-sulfurpentafluorobenzoic acid,3-pentafluoro-??-sulfanyl benzoic acid,3-pentafluorosulfanylbenzoic acid,3-carboxyphenylsulphur pentafluoride,3-pentafluorosulphanyl benzoic acid,3-pentafluoro-lambda6-sulfanyl benzoic acid,3-pentafluoro-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid PubChem CID: 2779209 IUPAC navn: 3-(pentafluoro-$l^{6}-sulfanyl)benzoic acid SMIL: C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)O

MDL nummer MFCD03788519
PubChem CID 2779209
Molekylvægt (g/mol) 248.167
CAS 833-96-5
Synonym 3-pentafluorosulfanyl benzoic acid,3-pentafluorothio benzoic acid,3-sulfurpentafluorobenzoic acid,3-pentafluoro-??-sulfanyl benzoic acid,3-pentafluorosulfanylbenzoic acid,3-carboxyphenylsulphur pentafluoride,3-pentafluorosulphanyl benzoic acid,3-pentafluoro-lambda6-sulfanyl benzoic acid,3-pentafluoro-$l^ 6-sulfanyl benzoic acid,3-pentafluoro-lambda6-sulphanyl benzoic acid
SMIL C1=CC(=CC(=C1)S(F)(F)(F)(F)F)C(=O)O
IUPAC navn 3-(pentafluoro-$l^{6}-sulfanyl)benzoic acid
InChI nøgle AKFDIYXSRGLRAB-UHFFFAOYSA-N
Molekylær formel C7H5F5O2S