2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid

CAS Registry Number®

955-53-3

CAS Name

2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid

Molecular Formula

C13H11NO2S

Molecular Mass

245.30

Cite this Page

2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=955-53-3 (retrieved 2024-11-23) (CAS RN: 955-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-218 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)

InChIKey

InChIKey=VEZNUKVMXCLWMM-UHFFFAOYSA-N

SMILES

S(C1=C(C(O)=O)C=CC=N1)C2=CC=C(C)C=C2

Canonical SMILES

O=C(O)C1=CC=CN=C1SC2=CC=C(C=C2)C

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 2-[(4-methylphenyl)thio]-
  • Nicotinic acid, 2-(p-tolylthio)-
  • 2-[(4-Methylphenyl)thio]-3-pyridinecarboxylic acid
  • 2-(4-Methylphenylthio)pyridine-3-carboxylic acid
  • 2-[(4-Methylphenyl)thio]nicotinic acid

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