1,5-Dihydro-3-propyl-5-thioxo-4H-1,2,4-triazole-4-acetic acid

CAS Registry Number®

853723-94-1
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CAS Name

1,5-Dihydro-3-propyl-5-thioxo-4H-1,2,4-triazole-4-acetic acid

Molecular Formula

C7H11N3O2S

Molecular Mass

201.25

Cite this Page

1,5-Dihydro-3-propyl-5-thioxo-4H-1,2,4-triazole-4-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=853723-94-1 (retrieved 2024-08-10) (CAS RN: 853723-94-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H11N3O2S/c1-2-3-5-8-9-7(13)10(5)4-6(11)12/h2-4H2,1H3,(H,9,13)(H,11,12)

InChIKey

InChIKey=XMKLBQBIIALMQA-UHFFFAOYSA-N

SMILES

C(C(O)=O)N1C(CCC)=NNC1=S

Canonical SMILES

O=C(O)CN1C(=S)NN=C1CCC

Other Names for this Substance

  • 4H-1,2,4-Triazole-4-acetic acid, 1,5-dihydro-3-propyl-5-thioxo-
  • 1,5-Dihydro-3-propyl-5-thioxo-4H-1,2,4-triazole-4-acetic acid
  • (3-Mercapto-5-propyl-4H-1,2,4-triazol-4-yl)acetic acid
  • 2-(3-Propyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)acetic acid