TL;DR: Carbanilic acid, 3,4-dichlorodithio-, ethyl ester (CAS 13037-37-1) is a chemical compound with molecular formula C9H9Cl2NS2 and molecular weight 264.95535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(3,4-dichlorophenyl)carbamodithioate
Also Known As: Tetrabromohydroquinone, Ethyl 3,4-dichlorodithiocarbanilate, ethyl N-(3,4-dichlorophenyl)carbamodithioate, 3,4-Dichlorodithiocarbanilic acid ethyl ester, CARBANILIC ACID, 3,4-DICHLORODITHIO-, ETHYL ESTER
| Molecular Formula | C9H9Cl2NS2 |
| Molecular Weight | 264.95535 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.95535 Da |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
| SMILES | CCSC(=S)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | AHFQVRXMYZFPHT-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that Carbanilic acid, 3,4-dichlorodithio-, ethyl 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, 3,4-dichlorodithio-, ethyl ester. Following Lipinski's Rule of Five, Carbanilic acid, 3,4-dichlorodithio-, ethyl 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, 3,4-dichlorodithio-, ethyl ester is 13037-37-1.
The molecular formula of Carbanilic acid, 3,4-dichlorodithio-, ethyl ester is C9H9Cl2NS2.
The molecular weight of Carbanilic acid, 3,4-dichlorodithio-, ethyl ester is 264.95535 g/mol.
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