CBMicro_008101
2-chloro-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: CBMicro_008101|BIM-0008166.P001|2-chloro-N-(2,2,2-trichloro-1-{[(2,5-dichloroanilino)carbothioyl]amino}ethyl)benzamide|2-Chloro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide|2-chloro-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]benzamide|2-chloro-N-[2,2,2-trichloro-1-({[(2,5-dichlorophenyl)amino]carbonothioyl}amino)ethyl]benzamide
| Molecular Formula | C16H11Cl6N3OS |
|---|---|
| Molecular Weight | 502.8754 g/mol |
| LogP | 6.0595 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.8754 |
| Monoisotopic Mass | 504.87244 |
| Heavy Atoms | 27 |
| Complexity | 858.28955 |
Chemical Identifiers
| CAS Number | 5148-45-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=CC(=C2)Cl)Cl)Cl |
Product Overview
CBMicro_008101 (CAS 5148-45-8), with molecular formula C16H11Cl6N3OS and molecular weight 502.8754 g/mol. IUPAC: 2-chloro-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]benzamide.
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