TL;DR: Carbanilic acid, m-chlorodithio-, p-chlorobenzyl ester (CAS 13037-32-6) is a chemical compound with molecular formula C14H11Cl2NS2 and molecular weight 326.971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)methyl N-(3-chlorophenyl)carbamodithioate
Also Known As: p-Chlorobenzyl m-chlorodithiocarbanilate, m-Chlorodithiocarbanilic acid p-chlorobenzyl ester, CARBANILIC ACID, m-CHLORODITHIO-, p-CHLOROBENZYL ESTER, (4-chlorophenyl)methyl N-(3-chlorophenyl)carbamodithioate, (4-Chlorophenyl)methyl (3-chlorophenyl)carbamodithioate
| Molecular Formula | C14H11Cl2NS2 |
| Molecular Weight | 326.971 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.971 Da |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
| SMILES | C1=CC(=CC(=C1)Cl)NC(=S)SCC2=CC=C(C=C2)Cl |
| InChIKey | SCWRLORCTXSBAL-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that Carbanilic acid, m-chlorodithio-, p-chlorobenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbanilic acid, m-chlorodithio-, p-chlorobenzyl ester. Following Lipinski's Rule of Five, Carbanilic acid, m-chlorodithio-, p-chlorobenzyl ester has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbanilic acid, m-chlorodithio-, p-chlorobenzyl ester is 13037-32-6.
The molecular formula of Carbanilic acid, m-chlorodithio-, p-chlorobenzyl ester is C14H11Cl2NS2.
The molecular weight of Carbanilic acid, m-chlorodithio-, p-chlorobenzyl ester is 326.971 g/mol.
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