4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid

CAS Registry Number®

2055041-03-5
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CAS Name

4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid

Molecular Formula

C10H13NO4S3

Molecular Mass

307.41

Cite this Page

4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2055041-03-5 (retrieved 2024-08-28) (CAS RN: 2055041-03-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H13NO4S3/c1-10(6-11,4-2-7(12)13)18-9(16)17-5-3-8(14)15/h2-5H2,1H3,(H,12,13)(H,14,15)

InChIKey

InChIKey=CTLAWKZAJCYIFX-UHFFFAOYSA-N

SMILES

C(SC(SCCC(O)=O)=S)(CCC(O)=O)(C#N)C

Canonical SMILES

N#CC(SC(=S)SCCC(=O)O)(C)CCC(=O)O

Other Names for this Substance

  • Pentanoic acid, 4-[[[(2-carboxyethyl)thio]thioxomethyl]thio]-4-cyano-
  • 4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid
  • 4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid
  • 4-[(2-Carboxyethylsulfanylthiocarbonyl)sulfanyl]-4-cyanopentanic acid
  • BM 1433

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