AC1O6KJ3
4-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: ASN 15425088|AK-245/11195017|4-(4-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione|5-(3,4-dimethoxyphenyl)-4-(4-chlorophenyl)-1,2,4-triazole-3-thiol|4-(4-Chloro-phenyl)-5-(3,4-dimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol
CAS: 879074-89-2
| Molecular Formula | C16H14ClN3O2S |
|---|---|
| Molecular Weight | 347.04953 g/mol |
| LogP | 4.26749 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.04953 |
| Monoisotopic Mass | 347.04953 |
| Heavy Atoms | 23 |
| Complexity | 887.0862 |
Chemical Identifiers
| CAS Number | 879074-89-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Cl)OC |
Product Overview
AC1O6KJ3 (CAS 879074-89-2), with molecular formula C16H14ClN3O2S and molecular weight 347.04953 g/mol. IUPAC: 4-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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