N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide
N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide
Also Known As: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide|N-{[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide|N-[[4-(5-chlorobenzooxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide
CAS: 428483-67-4
| Molecular Formula | C21H13ClN4O4S |
|---|---|
| Molecular Weight | 452.0346 g/mol |
| LogP | 5.1832 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.0346 |
| Monoisotopic Mass | 452.0346 |
| Heavy Atoms | 31 |
| Complexity | 1320.7213 |
Chemical Identifiers
| CAS Number | 428483-67-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl |
Product Overview
N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide (CAS 428483-67-4), with molecular formula C21H13ClN4O4S and molecular weight 452.0346 g/mol. IUPAC: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide.
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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N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide is a custom synthesis product. We offer services from milligram to kilogram scale.
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