2-[(4-Amino-4H-1,2,4-triazol-3-yl)thio]acetic acid

CAS Registry Number®

74599-37-4
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CAS Name

2-[(4-Amino-4H-1,2,4-triazol-3-yl)thio]acetic acid

Molecular Formula

C4H6N4O2S

Molecular Mass

174.18

Cite this Page

2-[(4-Amino-4H-1,2,4-triazol-3-yl)thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74599-37-4 (retrieved 2024-07-08) (CAS RN: 74599-37-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162-164 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C4H6N4O2S/c5-8-2-6-7-4(8)11-1-3(9)10/h2H,1,5H2,(H,9,10)

InChIKey

InChIKey=OOZQXHIKVYNIET-UHFFFAOYSA-N

SMILES

S(CC(O)=O)C=1N(N)C=NN1

Canonical SMILES

O=C(O)CSC1=NN=CN1N

Other Names for this Substance

  • Acetic acid, 2-[(4-amino-4H-1,2,4-triazol-3-yl)thio]-
  • Acetic acid, [(4-amino-4H-1,2,4-triazol-3-yl)thio]-
  • 2-[(4-Amino-4H-1,2,4-triazol-3-yl)thio]acetic acid
  • (4-Amino-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
  • 2-[(4-Amino-1,2,4-triazol-3-yl)sulfanyl]acetic acid

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