Ethanethioic acid, S-(4-chlorophenyl) ester

CAS Registry Number®

21021-60-3

CAS Name

Ethanethioic acid, S-(4-chlorophenyl) ester

Molecular Formula

C8H7ClOS

Molecular Mass

186.66

Cite this Page

Ethanethioic acid, S-(4-chlorophenyl) ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21021-60-3 (retrieved 2024-12-29) (CAS RN: 21021-60-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    129 °C @ Press: 13 Torr

  • Melting Point (2)

    31-32 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7ClOS/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3

InChIKey

InChIKey=QERKIPHHPNUKGG-UHFFFAOYSA-N

SMILES

S(C(C)=O)C1=CC=C(Cl)C=C1

Canonical SMILES

O=C(SC1=CC=C(Cl)C=C1)C

Other Names for this Substance

  • Ethanethioic acid, S-(4-chlorophenyl) ester
  • Acetic acid, thio-, S-(p-chlorophenyl) ester
  • Benzenethiol, p-chloro-, acetate
  • S-(p-Chlorophenyl) thioacetate
  • S-(4-Chlorophenyl) thioacetate

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