Ethyl 2-(1H-1,2,4-triazol-5-ylthio)acetate

CAS Registry Number®

307545-28-4

CAS Name

Ethyl 2-(1H-1,2,4-triazol-5-ylthio)acetate

Molecular Formula

C6H9N3O2S

Molecular Mass

187.22

Cite this Page

Ethyl 2-(1H-1,2,4-triazol-5-ylthio)acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=307545-28-4 (retrieved 2024-12-19) (CAS RN: 307545-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    55-57 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H9N3O2S/c1-2-11-5(10)3-12-6-7-4-8-9-6/h4H,2-3H2,1H3,(H,7,8,9)

InChIKey

InChIKey=KWRBZESLGXYFOV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCC)CSC1=NN=CN1

Other Names for this Substance

  • Acetic acid, 2-(1H-1,2,4-triazol-5-ylthio)-, ethyl ester
  • Acetic acid, (1H-1,2,4-triazol-3-ylthio)-, ethyl ester
  • Ethyl 2-(1H-1,2,4-triazol-5-ylthio)acetate
  • (1H-[1,2,4]Triazol-3-ylsulfanyl)-acetic acid ethyl ester

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