2-(Pentylthio)acetic acid

CAS Registry Number®

22683-44-9

CAS Name

2-(Pentylthio)acetic acid

Molecular Formula

C7H14O2S

Molecular Mass

162.25

Cite this Page

2-(Pentylthio)acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22683-44-9 (retrieved 2025-02-22) (CAS RN: 22683-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120-122 °C @ Press: 0.5 Torr

  • Melting Point (1)

    20.0-20.5 °C

  • Density (1)

    1.0425 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H14O2S/c1-2-3-4-5-10-6-7(8)9/h2-6H2,1H3,(H,8,9)

InChIKey

InChIKey=NBEYNZQBEQOQRG-UHFFFAOYSA-N

SMILES

S(CCCCC)CC(O)=O

Canonical SMILES

O=C(O)CSCCCCC

Other Names for this Substance

  • Acetic acid, 2-(pentylthio)-
  • Acetic acid, (pentylthio)-
  • 2-(Pentylthio)acetic acid
  • 3-Thiaoctanoic acid
  • (Pentylthio)acetic acid

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CAS INSIGHTSTM
Samples on a microarray, illustration