Carbanilic acid, m-chlorodithio-, methyl ester
TL;DR: Carbanilic acid, m-chlorodithio-, methyl ester (CAS 877-81-6) is a chemical compound with molecular formula C8H8ClNS2 and molecular weight 216.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(3-chlorophenyl)carbamodithioate
Also Known As: m-Chlorodithiocarbanilic acid methyl ester, CARBANILIC ACID, m-CHLORODITHIO-, METHYL ESTER, methyl (3-chlorophenyl)carbamodithioate, S-Methyl-N-(3-chlor-phenyl)-dithiocarbamat, S-Methyl-N-(3-chlor-phenyl)-dithiocarbamat [German]
| Molecular Formula | C8H8ClNS2 |
|---|---|
| Molecular Weight | 216.98 g/mol |
| LogP | 3.3998 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.97867 |
| Heavy Atoms | 12 |
| Complexity | 288.14127 |
Chemical Identifiers
| CAS Number | 877-81-6 |
|---|---|
| SMILES | CSC(=S)NC1=CC(=CC=C1)Cl |
Product Overview
Carbanilic acid, m-chlorodithio-, methyl ester (CAS 877-81-6), with molecular formula C8H8ClNS2 and molecular weight 216.98 g/mol. IUPAC: methyl N-(3-chlorophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, m-chlorodithio-, methyl ester
Property Insights of Carbanilic acid, m-chlorodithio-, methyl ester
The XLogP value of 3.3998 indicates that Carbanilic acid, m-chlorodithio-, methyl 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, m-chlorodithio-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-chlorodithio-, methyl 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, m-chlorodithio-, methyl ester?
The CAS number of Carbanilic acid, m-chlorodithio-, methyl ester is 877-81-6.
What is the molecular formula of Carbanilic acid, m-chlorodithio-, methyl ester?
The molecular formula of Carbanilic acid, m-chlorodithio-, methyl ester is C8H8ClNS2.
What is the molecular weight of Carbanilic acid, m-chlorodithio-, methyl ester?
The molecular weight of Carbanilic acid, m-chlorodithio-, methyl ester is 216.98 g/mol.
Where can I buy Carbanilic acid, m-chlorodithio-, methyl ester?
You can request a quote for Carbanilic acid, m-chlorodithio-, methyl 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, m-chlorodithio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-chlorodithio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.