AC1OBTBF
4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2,6-dichlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(2,6-dichlorophenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-tr iazole-3-thiol|4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H16Cl2N4OS |
|---|---|
| Molecular Weight | 406.04218 g/mol |
| LogP | 5.58389 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.04218 |
| Monoisotopic Mass | 406.04218 |
| Heavy Atoms | 26 |
| Complexity | 990.17084 |
Chemical Identifiers
| CAS Number | 577982-30-0 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)Cl |
Product Overview
AC1OBTBF (CAS 577982-30-0), with molecular formula C18H16Cl2N4OS and molecular weight 406.04218 g/mol. IUPAC: 4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.