2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid

CAS Registry Number®

57658-36-3
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CAS Name

2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid

Molecular Formula

C3H4N4O2S

Molecular Mass

160.15

Cite this Page

2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57658-36-3 (retrieved 2024-09-07) (CAS RN: 57658-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-180 °C (decomp)

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C3H4N4O2S/c8-2(9)1-7-3(10)4-5-6-7/h1H2,(H,8,9)(H,4,6,10)

InChIKey

InChIKey=UOTQEHLQKASWQO-UHFFFAOYSA-N

SMILES

C(C(O)=O)N1C(=S)NN=N1

Canonical SMILES

O=C(O)CN1N=NNC1=S

Other Names for this Substance

  • 1H-Tetrazole-1-acetic acid, 2,5-dihydro-5-thioxo-
  • 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid
  • 1-(Carboxymethyl)-5-mercaptotetrazole
  • 5-Mercapto-1-tetrazolylacetic acid
  • 1-Carboxymethyl-5-tetrazolethiol

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