S-(Thiobenzoyl)thioglycolic acid

Basic Information

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CAS Number

942-91-6

Molecular Formula

C9H8O2S2

Molecular Weight

212.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

126.0 to 130.0 deg-C

Density

1.3790

Solubility

acetone: soluble25mg/mL, clear

SMILES

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C1=CC=C(C=C1)C(=S)SCC(=O)O

InChI

InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

InChIKey

XBEIANFIOZTEDE-UHFFFAOYSA-N

LogP

2.1799

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

198

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-(Benzothioylthio)acetic acid
S-(Thiobenzoyl)thioglycolic acid
Dithiobenzoic acid carboxymethyl ester
[(Phenylcarbonothioyl)thio]acetic acid
2-(benzenecarbonothioylsulfanyl)acetic acid
(benzenecarbothioylsulfanyl)acetic acid
2-((phenylcarbonothioyl)thio)acetic acid
2-(benzenecarbothioylsulfanyl)acetic acid
Acetic acid,[(phenylthioxomethyl)thio]
Carboxymethyl dithiobenzoate
Dithiobenzoesaeurecarboxylmethylester
Dithiobenzoesaeurecarboxymethylester
Thiobenzoyl thioglycolate
Thiobenzoylthioacetic acid
(Thiobenzoylthio)acetic Acid
2-[(Phenylthioxomethyl)thio]acetic acid (ACI)
Acetic acid, [(phenylthioxomethyl)thio]- (9CI)
Acetic acid, mercapto-, dithiobenzoate (8CI)
Benzoic acid, dithio-, carboxymethyl ester (6CI)
Benzoic acid, dithio-, ester with mercaptoacetic acid (7CI, 8CI)
(Thiobenzoylthio)acetic acid
2-(Benzenecarbonothioylsulfanyl)acetic acid
2-(Phenylcarbonothioylthio)acetic acid
2-(Thiobenzoylthio)acetic acid
NSC 42331
NSC 68200
NSC68200
S-Thiobenzoylthioglycolic acid
SY053104
[(phenylcarbonothioyl)thio]acetic acid
MFCD00004927

MDL Number

MFCD00004927

Customs Code

29309070

FAQ

What are the physical and chemical properties of S-(Thiobenzoyl)thioglycolic acid (CAS: 942-91-6)?

S-(Thiobenzoyl)thioglycolic acid (CAS: 942-91-6) is a crystalline compound with a molecular weight of approximately 238 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is highly reactive and can undergo nucleophilic substitution reactions. It is often used as a precursor in organic synthesis.

How is S-(Thiobenzoyl)thioglycolic acid (CAS: 942-91-6) typically synthesized?

S-(Thiobenzoyl)thioglycolic acid is typically synthesized through the condensation of thioglycolic acid with benzoic anhydride in the presence of a catalyst such as pyridine. The reaction proceeds with high selectivity and yields the desired product in good purity.

What industries use S-(Thiobenzoyl)thioglycolic acid (CAS: 942-91-6)?

S-(Thiobenzoyl)thioglycolic acid (CAS: 942-91-6) is used in the pharmaceutical industry for the synthesis of certain drugs and as a building block in polymer chemistry. It is also utilized in the production of sensors and semiconductors.

What precautions should be taken when handling S-(Thiobenzoyl)thioglycolic acid (CAS: 942-91-6)?

When handling S-(Thiobenzoyl)thioglycolic acid (CAS: 942-91-6), it is important to wear appropriate personal protective equipment (PPE) including gloves and goggles. The compound should be handled in a well-ventilated environment or a fume hood to prevent inhalation. In case of a spill, use appropriate absorbents and follow spill cleanup procedures outlined in the safety data sheet (SDS).