TL;DR: 5-Chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine (CAS 14984-26-0) is a chemical compound with molecular formula C14H8Cl2N2O2S and molecular weight 337.96835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine
Also Known As: NCI60_023902, 5-chloro-n-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine, 5-Chloro-N-(4-chlorophenyl)-2-nitrobenzo(b)thiophen-3-amine, J1.167.287F, Benzo(b)thiophen-3-amine, 5-chloro-N-(4-chlorophenyl)-2-nitro-
| Molecular Formula | C14H8Cl2N2O2S |
| Molecular Weight | 337.96835 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.96835 Da |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
| SMILES | C1=CC(=CC=C1NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-])Cl |
| InChIKey | PHPMDGDFDIROQA-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that 5-Chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine. Following Lipinski's Rule of Five, 5-Chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine is 14984-26-0.
The molecular formula of 5-Chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine is C14H8Cl2N2O2S.
The molecular weight of 5-Chloro-N-(4-chlorophenyl)-2-nitro-1-benzothiophen-3-amine is 337.96835 g/mol.
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