S-[2-(Acetylamino)ethyl] 3-oxobutanethioate

CAS Registry Number®

23255-41-6

CAS Name

S-[2-(Acetylamino)ethyl] 3-oxobutanethioate

Molecular Formula

C8H13NO3S

Molecular Mass

203.26

Cite this Page

S-[2-(Acetylamino)ethyl] 3-oxobutanethioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23255-41-6 (retrieved 2024-12-02) (CAS RN: 23255-41-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    39-42 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H13NO3S/c1-6(10)5-8(12)13-4-3-9-7(2)11/h3-5H2,1-2H3,(H,9,11)

InChIKey

InChIKey=JFTGQZKJAXFLDQ-UHFFFAOYSA-N

SMILES

S(C(CC(C)=O)=O)CCNC(C)=O

Canonical SMILES

O=C(NCCSC(=O)CC(=O)C)C

Other Names for this Substance

  • Butanethioic acid, 3-oxo-, S-[2-(acetylamino)ethyl] ester
  • Acetoacetic acid, 1-thio-, S-ester with N-(2-mercaptoethyl)acetamide
  • S-[2-(Acetylamino)ethyl] 3-oxobutanethioate
  • Acetoacetyl-N-acetylcysteamine
  • N-Acetyl-S-acetoacetylcysteamine

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