Methyl N-(4-chlorophenyl)carbamodithioate
TL;DR: Methyl N-(4-chlorophenyl)carbamodithioate (CAS 705-69-1) 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-(4-chlorophenyl)carbamodithioate
Also Known As: Maybridge3_000348, Carbanilic acid, methyl ester, p-Chlorodithiocarbanilic acid methyl ester, methyl N-(4-chlorophenyl)carbamodithioate, Carbamodithioic acid, methyl ester
| 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 | 270.89127 |
Chemical Identifiers
| CAS Number | 705-69-1 |
|---|---|
| SMILES | CSC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
Methyl N-(4-chlorophenyl)carbamodithioate (CAS 705-69-1), with molecular formula C8H8ClNS2 and molecular weight 216.98 g/mol. IUPAC: methyl N-(4-chlorophenyl)carbamodithioate.
Chemical Property Profile of Methyl N-(4-chlorophenyl)carbamodithioate
Property Insights of Methyl N-(4-chlorophenyl)carbamodithioate
The XLogP value of 3.3998 indicates that Methyl N-(4-chlorophenyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Methyl N-(4-chlorophenyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(4-chlorophenyl)carbamodithioate 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 Methyl N-(4-chlorophenyl)carbamodithioate?
The CAS number of Methyl N-(4-chlorophenyl)carbamodithioate is 705-69-1.
What is the molecular formula of Methyl N-(4-chlorophenyl)carbamodithioate?
The molecular formula of Methyl N-(4-chlorophenyl)carbamodithioate is C8H8ClNS2.
What is the molecular weight of Methyl N-(4-chlorophenyl)carbamodithioate?
The molecular weight of Methyl N-(4-chlorophenyl)carbamodithioate is 216.98 g/mol.
Where can I buy Methyl N-(4-chlorophenyl)carbamodithioate?
You can request a quote for Methyl N-(4-chlorophenyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(4-chlorophenyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(4-chlorophenyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.