Ethanethioic acid, S-1,3-benzodioxol-5-yl ester

CAS Registry Number®

5279-33-4
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CAS Name

Ethanethioic acid, S-1,3-benzodioxol-5-yl ester

Molecular Formula

C9H8O3S

Molecular Mass

196.22

Cite this Page

Ethanethioic acid, S-1,3-benzodioxol-5-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5279-33-4 (retrieved 2024-09-01) (CAS RN: 5279-33-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    47 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8O3S/c1-6(10)13-7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3

InChIKey

InChIKey=YHVSMDZUPZLGQL-UHFFFAOYSA-N

SMILES

S(C(C)=O)C=1C=C2C(=CC1)OCO2

Canonical SMILES

O=C(SC1=CC=C2OCOC2=C1)C

Other Names for this Substance

  • Ethanethioic acid, S-1,3-benzodioxol-5-yl ester
  • Acetic acid, thio-, S-[3,4-(methylenedioxy)phenyl] ester
  • Benzenethiol, 3,4-(methylenedioxy)-, acetate
  • 1-(2H-1,3-Benzodioxol-5-ylsulfanyl)ethan-1-one