4-[5-(Methylthio)-2-thioxo-1,3,4-thiadiazol-3(2H)-yl]benzoic acid

CAS Registry Number®

727704-72-5
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CAS Name

4-[5-(Methylthio)-2-thioxo-1,3,4-thiadiazol-3(2H)-yl]benzoic acid

Molecular Formula

C10H8N2O2S3

Molecular Mass

284.38

Cite this Page

4-[5-(Methylthio)-2-thioxo-1,3,4-thiadiazol-3(2H)-yl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=727704-72-5 (retrieved 2024-08-17) (CAS RN: 727704-72-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H8N2O2S3/c1-16-9-11-12(10(15)17-9)7-4-2-6(3-5-7)8(13)14/h2-5H,1H3,(H,13,14)

InChIKey

InChIKey=IQJANDPNALUZGG-UHFFFAOYSA-N

SMILES

S=C1N(N=C(SC)S1)C2=CC=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1)N2N=C(SC2=S)SC

Other Names for this Substance

  • Benzoic acid, 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3(2H)-yl]-
  • 4-[5-(Methylthio)-2-thioxo-1,3,4-thiadiazol-3(2H)-yl]benzoic acid