2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid

CAS Registry Number®

64679-65-8
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CAS Name

2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid

Molecular Formula

C5H7N3O2S

Molecular Mass

173.19

Cite this Page

2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=64679-65-8 (retrieved 2024-04-27) (CAS RN: 64679-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H7N3O2S/c1-3-6-5(8-7-3)11-2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)

InChIKey

InChIKey=OJUNWHNRDPRNBR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CSC1=NN=C(N1)C

Other Names for this Substance

  • Acetic acid, 2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]-
  • Acetic acid, [(5-methyl-1H-1,2,4-triazol-3-yl)thio]-
  • 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
  • NSC 78999
  • Tiazotic acid

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