3-[2-(Methylthio)-1H-imidazol-1-yl]benzoic acid

CAS Registry Number®

1146290-22-3
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CAS Name

3-[2-(Methylthio)-1H-imidazol-1-yl]benzoic acid

Molecular Formula

C11H10N2O2S

Molecular Mass

234.27

Cite this Page

3-[2-(Methylthio)-1H-imidazol-1-yl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1146290-22-3 (retrieved 2024-09-10) (CAS RN: 1146290-22-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H10N2O2S/c1-16-11-12-5-6-13(11)9-4-2-3-8(7-9)10(14)15/h2-7H,1H3,(H,14,15)

InChIKey

InChIKey=HJYFTERKJKJIDX-UHFFFAOYSA-N

SMILES

S(C)C=1N(C2=CC(C(O)=O)=CC=C2)C=CN1

Canonical SMILES

O=C(O)C1=CC=CC(=C1)N2C=CN=C2SC

Other Names for this Substance

  • Benzoic acid, 3-[2-(methylthio)-1H-imidazol-1-yl]-
  • 3-[2-(Methylthio)-1H-imidazol-1-yl]benzoic acid