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
[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
[SMILES]

OC(=O)CSC(=S)c1ccccc1
[CAS DataBase Reference]

942-91-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[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
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
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)
942-91-6 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Syntechem Co.,Ltd  
Telephone:
Website: www.syntechem.com
Company Name: ChangZhou SIDU chemical Co., Ltd.  
Telephone: 0519-81291281 18015082300
Website: https://www.chemicalbook.com/ShowSupplierProductsList15241/0_EN.htm
Company Name: AF Biochem Co., Ltd.  
Telephone: +86-028-60911900 13540204019
Website: www.afbiochem.com
Company Name: Spectrum Chemical Manufacturing Corp.  
Telephone: 021-021-021-67601398-809-809-809 15221380277
Website: www.spectrumchemical.com/oa_html/index.jsp?minisite=10020&respid=22372&language=us
Company Name: Chengdu Ai Keda Chemical Technology Co., Ltd.  
Telephone: 4008-755-333 18080918076
Website: http://www.aikeshiji.com
Company Name: Shanghai civi chemical technology co.,Ltd  
Telephone: 86-21-34053660
Website: www.labgogo.com
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Chengdu AstaTech Trading Co., Ltd./AstaTech (Chengdu) Pharma. Co., Ltd.  
Telephone: +86-28-85122536 85324413
Website: www.chemicalbook.com/ShowSupplierProductsList12313/0_EN.htm
Company Name: Hubei XinyuanShun Chemical Co., Ltd.  
Telephone: 13971561712, 13995564702, 027-50664929
Website: www.chemicalbook.com/ShowSupplierProductsList16209/0_EN.htm
Company Name: Shanghai JONLN Reagent Co., Ltd.  
Telephone: 400-0066400 13621662912
Website: http://www.jonln.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Tags:942-91-6 Related Product Information
867-13-0 98-91-9 60-12-8 106-65-0 507-09-5 55896-93-0 59-30-3 79-14-1 122-99-6 1005-56-7 141-78-6 68-11-1 367-51-1 94-36-0 2836-32-0 5421-46-5 77-92-9 56-40-6