5-(2-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(2-chloro-4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 8019-8988 |
Compound Name: | 5-(2-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(c(c1)[Cl])c1nnc(n1CC=C)S |
Stereo: | ACHIRAL |
logP: | 3.3041 |
logD: | 2.6736 |
logSw: | -3.9874 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 22.9643 |
InChI Key: | LZLJBOBKQPCCCB-UHFFFAOYSA-N |