Carbanilic acid, m-chlorodithio-, benzyl ester
TL;DR: Carbanilic acid, m-chlorodithio-, benzyl ester (CAS 13037-31-5) is a chemical compound with molecular formula C14H12ClNS2 and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(3-chlorophenyl)carbamodithioate
Also Known As: benzyl N-(3-chlorophenyl)carbamodithioate, m-Chlorodithiocarbanilic acid benzyl ester, S-Benzyl-N-(3-chlor-phenyl)-dithiocarbamat, m-Chlorophenyldithiocarbamic acid benzyl ester, Benzyl (3-chlorophenyl)carbamodithioate
| Molecular Formula | C14H12ClNS2 |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 4.9702 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.00998 |
| Heavy Atoms | 18 |
| Complexity | 528.327 |
Chemical Identifiers
| CAS Number | 13037-31-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=S)NC2=CC(=CC=C2)Cl |
Product Overview
Carbanilic acid, m-chlorodithio-, benzyl ester (CAS 13037-31-5), with molecular formula C14H12ClNS2 and molecular weight 293.01 g/mol. IUPAC: benzyl N-(3-chlorophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, m-chlorodithio-, benzyl ester
Property Insights of Carbanilic acid, m-chlorodithio-, benzyl ester
The XLogP value of 4.9702 indicates that Carbanilic acid, m-chlorodithio-, benzyl 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-, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-chlorodithio-, benzyl 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-, benzyl ester?
The CAS number of Carbanilic acid, m-chlorodithio-, benzyl ester is 13037-31-5.
What is the molecular formula of Carbanilic acid, m-chlorodithio-, benzyl ester?
The molecular formula of Carbanilic acid, m-chlorodithio-, benzyl ester is C14H12ClNS2.
What is the molecular weight of Carbanilic acid, m-chlorodithio-, benzyl ester?
The molecular weight of Carbanilic acid, m-chlorodithio-, benzyl ester is 293.01 g/mol.
Where can I buy Carbanilic acid, m-chlorodithio-, benzyl ester?
You can request a quote for Carbanilic acid, m-chlorodithio-, benzyl 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-, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-chlorodithio-, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.