4-allyl-5-(1-phenoxyethyl)-4H-1,2,4-triazole-3-thiol
3-(1-phenoxyethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-(1-phenoxyethyl)-4H-1,2,4-triazole-3-thiol|ART-CHEM-BB B018129|7809AE|3-(1-phenoxyethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione|Y-1145|5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol|4-allyl-3-(1-phenoxyethyl)-1H-1,2,4-triazole-5-thione|5-(phenoxyethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol|5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-1,2,4-triazole-3-thiol|5-(1-phenoxyethyl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione|5-(1-Phenoxyethyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H15N3OS |
|---|---|
| Molecular Weight | 261.0936 g/mol |
| LogP | 3.26669 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.0936 |
| Monoisotopic Mass | 261.0936 |
| Heavy Atoms | 18 |
| Complexity | 573.42236 |
Chemical Identifiers
| CAS Number | 669705-40-2 |
|---|---|
| SMILES | CC(C1=NNC(=S)N1CC=C)OC2=CC=CC=C2 |
Product Overview
4-allyl-5-(1-phenoxyethyl)-4H-1,2,4-triazole-3-thiol (CAS 669705-40-2), with molecular formula C13H15N3OS and molecular weight 261.0936 g/mol. IUPAC: 3-(1-phenoxyethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.