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Thiobenzoic acids and derivatives

Thiobenzoic acids and derivatives

Organosulfur compounds that consist of a benzoic acid in which the hydroxyl group is exchanged for a thiol group (-SH). Includes compounds that are directly derived from thiobenzoic acid.
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1

S-Benzoylthiamine O-Monophosphate, MP Biomedicals™

CAS: 22457-89-2 Molecular Formula: C19H23N4O6PS Molecular Weight (g/mol): 466.45 MDL Number: MFCD00057343,MFCD00057343 InChI Key: BTNNPSLJPBRMLZ-LGMDPLHJSA-N Synonym: benfotiamine,berdi,s-benzoylthiamine o-monophosphate,spectrum5_001042,spectrum1503105,benzoylthiaminmonophosphat,4-n-4-amino-2-methylpyrimidin-5-yl methyl formamido-3-benzoylsulfanyl pent-3-en-1-yl oxyphosphonic acid,s-e-2-4-amino-2-methylpyrimidin-5-yl methyl-formylamino-5-phosphonooxypent-2-en-3-yl benzenecarbothioate PubChem CID: 5282168 IUPAC Name: {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid SMILES: C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1

PubChem CID 5282168
CAS 22457-89-2
Molecular Weight (g/mol) 466.45
MDL Number MFCD00057343,MFCD00057343
SMILES C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1
Synonym benfotiamine,berdi,s-benzoylthiamine o-monophosphate,spectrum5_001042,spectrum1503105,benzoylthiaminmonophosphat,4-n-4-amino-2-methylpyrimidin-5-yl methyl formamido-3-benzoylsulfanyl pent-3-en-1-yl oxyphosphonic acid,s-e-2-4-amino-2-methylpyrimidin-5-yl methyl-formylamino-5-phosphonooxypent-2-en-3-yl benzenecarbothioate
IUPAC Name {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
InChI Key BTNNPSLJPBRMLZ-LGMDPLHJSA-N
Molecular Formula C19H23N4O6PS
2

S-Hydroxymethyl thiobenzoate, 98%, Thermo Scientific™

CAS: 23853-33-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00014423 InChI Key: MNTZJQAAOYSCMM-UHFFFAOYSA-N Synonym: s-hydroxymethyl benzenecarbothioate,s-hydroxymethyl benzothioate,s-hydroxymethyl thiobenzoate,hydroxymethylthio phenyl ketone,hydroxymethyl sulfanyl phenyl methanone,benzoyl-oxymethyl-thiamine,s-hydroxymethylthiobenzoate,hydroxymethylbenzoyl sulfide PubChem CID: 287157 IUPAC Name: S-(hydroxymethyl) benzenecarbothioate SMILES: C1=CC=C(C=C1)C(=O)SCO

PubChem CID 287157
CAS 23853-33-0
Molecular Weight (g/mol) 168.21
MDL Number MFCD00014423
SMILES C1=CC=C(C=C1)C(=O)SCO
Synonym s-hydroxymethyl benzenecarbothioate,s-hydroxymethyl benzothioate,s-hydroxymethyl thiobenzoate,hydroxymethylthio phenyl ketone,hydroxymethyl sulfanyl phenyl methanone,benzoyl-oxymethyl-thiamine,s-hydroxymethylthiobenzoate,hydroxymethylbenzoyl sulfide
IUPAC Name S-(hydroxymethyl) benzenecarbothioate
InChI Key MNTZJQAAOYSCMM-UHFFFAOYSA-N
Molecular Formula C8H8O2S
3

Thiobenzoic acid, 90%, Thermo Scientific Chemicals

CAS: 98-91-9 MDL Number: MFCD00004852 InChI Key: UIJGNTRUPZPVNG-UHFFFAOYSA-N Synonym: thiobenzoic acid,benzenecarbothioic acid,benzoyl thiol,monothiobenzoic acid,benzoic acid, thio,acido mercaptobenzoico,unii-gbg5rlo56n,ccris 8913,acido mercaptobenzoico italian,gbg5rlo56n PubChem CID: 7414 IUPAC Name: benzenecarbothioic S-acid SMILES: C1=CC=C(C=C1)C(=O)S

PubChem CID 7414
CAS 98-91-9
MDL Number MFCD00004852
SMILES C1=CC=C(C=C1)C(=O)S
Synonym thiobenzoic acid,benzenecarbothioic acid,benzoyl thiol,monothiobenzoic acid,benzoic acid, thio,acido mercaptobenzoico,unii-gbg5rlo56n,ccris 8913,acido mercaptobenzoico italian,gbg5rlo56n
IUPAC Name benzenecarbothioic S-acid
InChI Key UIJGNTRUPZPVNG-UHFFFAOYSA-N