AC1OBMWH
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS: 613250-46-7
| Molecular Formula | C17H14ClN5O3S |
|---|---|
| Molecular Weight | 403.0506 g/mol |
| LogP | 4.45019 |
| Topological Polar Surface Area | 98.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0506 |
| Monoisotopic Mass | 403.0506 |
| Heavy Atoms | 27 |
| Complexity | 1059.176 |
Chemical Identifiers
| CAS Number | 613250-46-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
AC1OBMWH (CAS 613250-46-7), with molecular formula C17H14ClN5O3S and molecular weight 403.0506 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-ethoxyphenyl)-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.
View MSDS →
AC1OBMWH is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »