4-(2,5-Dithioxo-1,3,4-thiadiazolidin-3-yl)benzoic acid

CAS Registry Number®

7803-72-7
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CAS Name

4-(2,5-Dithioxo-1,3,4-thiadiazolidin-3-yl)benzoic acid

Molecular Formula

C9H6N2O2S3

Molecular Mass

270.35

Cite this Page

4-(2,5-Dithioxo-1,3,4-thiadiazolidin-3-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7803-72-7 (retrieved 2024-09-09) (CAS RN: 7803-72-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O2S3/c12-7(13)5-1-3-6(4-2-5)11-9(15)16-8(14)10-11/h1-4H,(H,10,14)(H,12,13)

InChIKey

InChIKey=BEXQYDZAYYPOQQ-UHFFFAOYSA-N

SMILES

S=C1N(NC(=S)S1)C2=CC=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1)N2NC(=S)SC2=S

Other Names for this Substance

  • Benzoic acid, 4-(2,5-dithioxo-1,3,4-thiadiazolidin-3-yl)-
  • Benzoic acid, p-(2-mercapto-5-thioxo-Δ2-1,3,4-thiadiazolin-4-yl)-
  • Benzoic acid, 4-(2,5-dithioxo-1,3,4-thiadiazolidin-4-yl)-
  • 4-(2,5-Dithioxo-1,3,4-thiadiazolidin-3-yl)benzoic acid