5-(1,3-Benzodioxol-5-yl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

CAS Registry Number®

77803-46-4

CAS Name

5-(1,3-Benzodioxol-5-yl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

Molecular Formula

C12H11N3O2S

Molecular Mass

261.30

Cite this Page

5-(1,3-Benzodioxol-5-yl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77803-46-4 (retrieved 2024-11-21) (CAS RN: 77803-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137-138 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C12H11N3O2S/c1-2-5-15-11(13-14-12(15)18)8-3-4-9-10(6-8)17-7-16-9/h2-4,6H,1,5,7H2,(H,14,18)

InChIKey

InChIKey=SISWGCCVSKAIFN-UHFFFAOYSA-N

SMILES

C(C=C)N1C(=NNC1=S)C=2C=C3C(=CC2)OCO3

Canonical SMILES

S=C1NN=C(C=2C=CC=3OCOC3C2)N1CC=C

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 5-(1,3-benzodioxol-5-yl)-2,4-dihydro-4-(2-propen-1-yl)-
  • 3H-1,2,4-Triazole-3-thione, 5-(1,3-benzodioxol-5-yl)-2,4-dihydro-4-(2-propenyl)-
  • 5-(1,3-Benzodioxol-5-yl)-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
  • 3-(1,3-Benzodioxol-5-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

CAS INSIGHTSTM
Targeted protein degrader structure, illustration