TL;DR: Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]- (CAS 144487-37-6) is a chemical compound with molecular formula C20H15ClN4OS and molecular weight 394.06552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide
Also Known As: 2-chloro-N-[(4-phenyldiazenylphenyl)carbamothioyl]benzamide, 2-chloro-N-[(4-phenyldiazenylphenyl)thiocarbamoyl]benzamide, Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
| Molecular Formula | C20H15ClN4OS |
| Molecular Weight | 394.06552 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.06552 Da |
| Heavy Atoms | 27 |
| Complexity | 530.0 |
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl |
| InChIKey | MPWVULVQWGKCKN-UHFFFAOYSA-N |
The XLogP value of 6.8 indicates that Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-. Following Lipinski's Rule of Five, Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]- is 144487-37-6.
The molecular formula of Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]- is C20H15ClN4OS.
The molecular weight of Benzamide, 2-chloro-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]- is 394.06552 g/mol.
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