1,3-Butanedithiol, 1-acetate

CAS Registry Number®

89534-38-3

CAS Name

1,3-Butanedithiol, 1-acetate

Molecular Formula

C6H12O2S

Molecular Mass

148.22

Cite this Page

1,3-Butanedithiol, 1-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89534-38-3 (retrieved 2025-08-15) (CAS RN: 89534-38-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    48-49 °C @ Press: 2-3 Torr

  • Density (1)

    1.0729 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H12O2S/c1-5(9)3-4-8-6(2)7/h5,9H,3-4H2,1-2H3

InChIKey

InChIKey=GMXSGLCDVHHWIB-UHFFFAOYSA-N

SMILES

C(CC(C)S)OC(C)=O

Canonical SMILES

O=C(OCCC(S)C)C

Other Names for this Substance

  • 1,3-Butanedithiol, 1-acetate
  • 1-Butanol, 3-mercapto-, 1-acetate
  • 3-Sulfanylbutyl acetate
  • 3-Mercaptobutyl acetate

CAS INSIGHTSTM
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