5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 8019-9015 |
Compound Name: | 5-(3-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 265.76 |
Molecular Formula: | C12 H12 Cl N3 S |
Smiles: | Cc1ccc(cc1[Cl])c1nnc(n1CC=C)S |
Stereo: | ACHIRAL |
logP: | 3.7683 |
logD: | 3.1378 |
logSw: | -4.2251 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 22.9643 |
InChI Key: | JGFGSSQWTXOKJA-UHFFFAOYSA-N |