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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 – 7 of 7 results
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

Dibenzoyl Thiamine, MedChemExpress

MedChemExpress Dibenzoyl Thiamine (Bentiamine), a derivative of thiamine, is rapidly absorbed into the body and converted to thiamine.

ENCOMPASS_PREFERRED
3

Beaucage reagent, MedChemExpress

MedChemExpress Beaucage reagent is found to be potent in causing DNA cleavage.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 200.23
Color White
Physical Form Solid
Chemical Name or Material Beaucage reagent
Grade Research
SMILES O=C(C1=CC=CC=C12)SS2(=O)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.0%
CAS 66304-01-6
Solubility Information DMSO : ≥ 100 mg/mL (499.43 mM) ∣H2O : 0.14 mg/mL (0.70 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C7H4O3S2
Formula Weight 200.23
4

Zofenopril calcium, MedChemExpress

MedChemExpress Zofenopril Calcium (SQ26991) is an antioxidant that acts as an angiotensin-converting enzyme inhibitor.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 448.58
Color White
Physical Form Solid
Chemical Name or Material Zofenopril calcium
Grade Research
SMILES O=C(N(C[C@@H](SC1=CC=CC=C1)C2)[C@@H]2C([O-])=O)[C@H](C)CSC(C3=CC=CC=C3)=O.[0.5Ca2+]
For Use With (Application) Neuroscience-Neurodegeneration
Percent Purity 99.56%
CAS 81938-43-4
Solubility Information DMSO : 2 mg/mL (4.46 mM; Need ultrasonic) ∣H2O : < 0.1 mg/mL (insoluble)
Synonym SQ26991
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C22H22Ca0.5NO4S2
Formula Weight 448.58
5

Benfotiamine, MedChemExpress

MedChemExpress Benfotiamine (S-Benzoylthiamine O-monophosphate) is an analog of vitamin B1 with higher absorption and bioavailability than vitamin B1, and is commonly used as a food supplement for diabetic complications. Benfotiamine exhibits direct antioxidative capacity and prevents induction of DNA damage.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 466.45
Color White
Physical Form Solid
Chemical Name or Material Benfotiamine
Grade Research
SMILES CC1=NC=C(CN(/C(C)=C(CCOP(O)(O)=O)/SC(C2=CC=CC=C2)=O)C=O)C(N)=N1
For Use With (Application) Neuroscience-Neurodegeneration
Percent Purity 99.26%
CAS 22457-89-2
Solubility Information DMSO : ≥ 50 mg/mL (107.19 mM) ∣H2O : 0.67 mg/mL (1.44 mM; Need ultrasonic)
Synonym S-Benzoylthiamine O-monophosphate
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C19H23N4O6PS
Formula Weight 466.45
6

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
7

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