2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid

CAS Registry Number®

112811-90-2

CAS Name

2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid

Molecular Formula

C13H11NO2S

Molecular Mass

245.30

Cite this Page

2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112811-90-2 (retrieved 2024-11-21) (CAS RN: 112811-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-193 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H11NO2S/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)

InChIKey

InChIKey=OJNZDGDYAXCHPB-UHFFFAOYSA-N

SMILES

S(CC1=CC=CC=C1)C2=C(C(O)=O)C=CC=N2

Canonical SMILES

O=C(O)C1=CC=CN=C1SCC=2C=CC=CC2

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-
  • 2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
  • 2-(Phenylmethylthio)-3-pyridinecarboxylic acid
  • 2-Benzylsulfanylpyridine-3-carboxylic acid
  • 2-(Benzylsulfanyl)pyridine-3-carboxylic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration