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ChemicalBook--->CAS DataBase List--->942-91-6

942-91-6

942-91-6 Structure

942-91-6 Structure
IdentificationMore
[Name]

2-(Benzothioylthio)acetic acid
[CAS]

942-91-6
[Synonyms]

DITHIOBENZOIC ACID CARBOXYMETHYL ESTER
S-(THIOBENZOYL)THIOGLYCOLIC ACID
THIOBENZOYL-MERCAPTOACETIC ACID
THIOBENZOYLSULFANYL ACETIC ACID
(THIOBENZOYLTHIO)ACETIC ACID
THIOBENZOYLTHIOGLYCOLIC ACID
[(phenylthioxomethyl)thio]acetic acid
S-THIOGLYCOLIC ACID(TBTGA)
Acetic acid, (phenylthioxomethyl)thio-
Thiobenzoyl thioglycolate.
2-(Benzothioylthio)acetic acid
(Thiobenzoylthio)acetic acid, Dithiobenzoic acid carboxymethyl ester
2-(Benzenecarbothioylsulfanyl)acetic acid
Benzoic acid, dithio-, carboxymethyl ester
Benzoic acid, dithio-, ester with mercaptoacetic acid
Carboxymethyl dithiobenzoate
[(phenylcarbonothioyl)thio]acetic acid
(α-Thioxobenzylthio)acetic acid
[Phenyl(thiocarbonyl)thio]acetic acid
2-(α-Thioxobenzylthio)acetic acid
[EINECS(EC#)]

213-393-0
[Molecular Formula]

C9H8O2S2
[MDL Number]

MFCD00004927
[Molecular Weight]

212.29
[MOL File]

942-91-6.mol
Chemical PropertiesBack Directory
[Appearance]

DARK RED CRYSTALLINE POWDER
[Melting point ]

125-127 °C(lit.)
[Boiling point ]

375.5±44.0 °C(Predicted)
[density ]

1.379±0.06 g/cm3(Predicted)
[storage temp. ]

Store below +30°C.
[solubility ]

acetone: soluble25mg/mL, clear
[form ]

powder to crystal
[pka]

2.91±0.10(Predicted)
[color ]

Orange to Brown to Dark red
[CAS DataBase Reference]

942-91-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3335
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29309070
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-(Benzothioylthio)acetic acid(942-91-6).msds
Hazard InformationBack Directory
[Chemical Properties]

DARK RED CRYSTALLINE POWDER
[Uses]

S-(Thiobenzoyl)thioglycolic acid ((thiobenzoylthio)acetic acid) was employed as reversible addition-fragmentation chain transfer (RAFT) agent during the copolymerization of styrene and divinylbenzene. It was also employed as chain-transfer agent for the RAFT polymerizations of styrene, methyl methacrylate and butyl acrylate.
It may be used to synthesize the following:
  • N-Thiobenzoyl-DL-threonine ethyl ester by reacting with DL-threonine.
  • Thiobenzoic acid O-esters by reacting with alkoxides.
  • N-Thiobenzoylamino acids by reacting with amino acids.
[General Description]

S-(Thiobenzoyl)thioglycolic acid (TBTGA) also known as (thiobenzoylthio)acetic acid is a reagent used for thiobenzoylation. It participates in the transformation of threonine into β-methylcysteine.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(Benzothioylthio)acetic acid(942-91-6)MS
2-(Benzothioylthio)acetic acid(942-91-6)1HNMR
2-(Benzothioylthio)acetic acid(942-91-6)13CNMR
2-(Benzothioylthio)acetic acid(942-91-6)IR1
2-(Benzothioylthio)acetic acid(942-91-6)IR2
2-(Benzothioylthio)acetic acid(942-91-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

942-91-6(sigmaaldrich)
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