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CS-W001157 4
Total: USD 88.00

2-((Phenylcarbonothioyl)thio)acetic acid

  • CAS No. 942-91-6

  • Cat. No. CS-W014999
  • Purity≥98%
  • MDL No.MFCD00004927

*For research and further manufacturing use only, not for direct human use.

2-((Phenylcarbonothioyl)thio)acetic acid|CS-W014999

Structure of 942-91-6

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General Information

  • CAS No. 942-91-6
  • Cat. No. CS-W014999
  • Purity ≥98%
  • MDL No. MFCD00004927
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₂S₂
  • Molecular Weight 212.29
  • Synonym(s) Thiobenzoylsulfanyl-Acetic Acid
  • SMILES O=C(O)CSC(C1=CC=CC=C1)=S

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 -methylcysteine.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.

Synthesis

  • Route1
    • null|null
      75-15-0
    • null|null
      108-86-1
    • null|null
      79-11-8
    • ~60%
    • In-stock
      2-((Phenylcarbonothioyl)thio)acetic acid|CS-W014999
      942-91-6

    References

    • WAYNE STATE UNIVERSITY; DEPARTMENT OF VETERANS AFFAIRS; REGENTS OF THE UNIVERSITY OF MICHIGAN; RISHI, Arun, K.; LARSEN, Scott, D. Patent: WO2013/33392 A1, 2013 ; Location in patent: Page/Page column 61-62 ;
  • Route2
    • null|null
      75-15-0
    • null|null
      108-86-1
    • null|null
      79-08-3
    • ~51%
    • In-stock
      2-((Phenylcarbonothioyl)thio)acetic acid|CS-W014999
      942-91-6

    References

    • Wu, De-Qun; Li, Ze-Yong; Li, Cao; Fan, Jian-Jun; Lu, Bo; Chang, Cong; Cheng, Si-Xue; Zhang, Xian-Zheng; Zhuo, Ren-Xi Pharmaceutical Research, 2010 , vol. 27, # 1 p. 187 - 199
  • Route3
    • Benzodithioic acid|CS-0577565
      121-68-6
    • null|null
      79-11-8
    • ~%
    • In-stock
      2-((Phenylcarbonothioyl)thio)acetic acid|CS-W014999
      942-91-6

    References

    • Chinese Chemical Letters, , vol. 24, # 10 p. 929 - 933

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: 3335
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.1799
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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