Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester
TL;DR: Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester (CAS 20975-50-2) is a chemical compound with molecular formula C10H12ClNS2 and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-chloro-3-methylphenyl)carbamodithioate
Also Known As: Ethyl 4-chloro-3-methyldithiocarbanilate, 4-Chloro-3-methyldithiocarbanilic acid ethyl ester, ethyl N-(4-chloro-3-methylphenyl)carbamodithioate, CARBANILIC ACID, 4-CHLORO-3-METHYLDITHIO-, ETHYL ESTER, Ethyl (4-chloro-3-methylphenyl)carbamodithioate
| Molecular Formula | C10H12ClNS2 |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 4.09832 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.00996 |
| Heavy Atoms | 14 |
| Complexity | 338.89392 |
Chemical Identifiers
| CAS Number | 20975-50-2 |
|---|---|
| SMILES | CCSC(=S)NC1=CC(=C(C=C1)Cl)C |
Product Overview
Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester (CAS 20975-50-2), with molecular formula C10H12ClNS2 and molecular weight 245.01 g/mol. IUPAC: ethyl N-(4-chloro-3-methylphenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester
Property Insights of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester
The XLogP value of 4.09832 indicates that Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester?
The CAS number of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester is 20975-50-2.
What is the molecular formula of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester?
The molecular formula of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester is C10H12ClNS2.
What is the molecular weight of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester?
The molecular weight of Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester is 245.01 g/mol.
Where can I buy Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester?
You can request a quote for Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 4-chloro-3-methyldithio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.