Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester
TL;DR: Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester (CAS 20975-43-3) is a chemical compound with molecular formula C9H9ClINS2 and molecular weight 356.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-chloro-4-iodophenyl)carbamodithioate
Also Known As: Ethyl 3-chloro-4-iododithiocarbanilate, 3-Chloro-4-iododithiocarbanilic acid ethyl ester, CARBANILIC ACID, 3-CHLORO-4-IODODITHIO-, ETHYL ESTER, Ethyl (3-chloro-4-iodophenyl)carbamodithioate, ethyl N-(3-chloro-4-iodophenyl)carbamodithioate
| Molecular Formula | C9H9ClINS2 |
|---|---|
| Molecular Weight | 356.89 g/mol |
| LogP | 4.3945 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.89096 |
| Heavy Atoms | 14 |
| Complexity | 343.5839 |
Chemical Identifiers
| CAS Number | 20975-43-3 |
|---|---|
| SMILES | CCSC(=S)NC1=CC(=C(C=C1)I)Cl |
Product Overview
Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester (CAS 20975-43-3), with molecular formula C9H9ClINS2 and molecular weight 356.89 g/mol. IUPAC: ethyl N-(3-chloro-4-iodophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester
Property Insights of Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester
The XLogP value of 4.3945 indicates that Carbanilic acid, 3-chloro-4-iododithio-, 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, 3-chloro-4-iododithio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 3-chloro-4-iododithio-, 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, 3-chloro-4-iododithio-, ethyl ester?
The CAS number of Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester is 20975-43-3.
What is the molecular formula of Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester?
The molecular formula of Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester is C9H9ClINS2.
What is the molecular weight of Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester?
The molecular weight of Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester is 356.89 g/mol.
Where can I buy Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester?
You can request a quote for Carbanilic acid, 3-chloro-4-iododithio-, 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, 3-chloro-4-iododithio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 3-chloro-4-iododithio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.