AC1LHMK7
3-[(3-chloro-4-methylanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: Oprea1_455528|BAS 02138589|AG-690/40698565|5-[[(3-Chloro-4-methylphenyl)amino]methyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione|3-[(3-chloro-4-methylanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione|5-[(3-chloro-4-methylanilino)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol|5-[(3-Chloro-4-methyl-phenylamino)-methyl]-4-methyl-4H-[1,2,4]triazole-3-thiol|5-[(3-Chloro-4-methylanilino)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-{[(3-chloro-4-methylphenyl)amino]methyl}-4-methyl-1,2,4-triazole-3-thiol
| Molecular Formula | C11H13ClN4S |
|---|---|
| Molecular Weight | 268.05493 g/mol |
| LogP | 3.05161 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.05493 |
| Monoisotopic Mass | 268.05493 |
| Heavy Atoms | 17 |
| Complexity | 587.39764 |
Chemical Identifiers
| CAS Number | 333313-77-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCC2=NNC(=S)N2C)Cl |
Product Overview
AC1LHMK7 (CAS 333313-77-2), with molecular formula C11H13ClN4S and molecular weight 268.05493 g/mol. IUPAC: 3-[(3-chloro-4-methylanilino)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.