Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-yl)-, methyl ester

CAS Registry Number®

51542-42-8

CAS Name

Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-yl)-, methyl ester

Molecular Formula

C10H9N3O2S

Molecular Mass

235.26

Cite this Page

Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-yl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51542-42-8 (retrieved 2024-11-24) (CAS RN: 51542-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H9N3O2S/c1-15-9(14)7-4-2-6(3-5-7)8-12-13-10(11)16-8/h2-5H,1H3,(H2,11,13)

InChIKey

InChIKey=FFWNJSLCIGAQEI-UHFFFAOYSA-N

SMILES

NC=1SC(C2=CC=C(C(OC)=O)C=C2)=NN1

Canonical SMILES

O=C(OC)C=1C=CC(=CC1)C2=NN=C(S2)N

Other Names for this Substance

  • Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-yl)-, methyl ester
  • 2-Amino-5-[p-(methoxycarbonyl)phenyl]-1,3,4-thiadiazole
  • Methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate