3-[(Phenylmethyl)thio]propanoic acid

CAS Registry Number®

2899-66-3

CAS Name

3-[(Phenylmethyl)thio]propanoic acid

Molecular Formula

C10H12O2S

Molecular Mass

196.27

Cite this Page

3-[(Phenylmethyl)thio]propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2899-66-3 (retrieved 2024-11-22) (CAS RN: 2899-66-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    147 °C @ Press: 0.5 Torr

  • Melting Point (2)

    81-81.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)

InChIKey

InChIKey=NDBNSZKHDMXOJE-UHFFFAOYSA-N

SMILES

C(SCCC(O)=O)C1=CC=CC=C1

Canonical SMILES

O=C(O)CCSCC=1C=CC=CC1

Other Names for this Substance

  • Propanoic acid, 3-[(phenylmethyl)thio]-
  • Propionic acid, 3-(benzylthio)-
  • 3-[(Phenylmethyl)thio]propanoic acid
  • β-(Benzylthio)propionic acid
  • 3-(Benzylthio)propionic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration