Benzenecarbodithioic acid, 4-chloro-, ethyl ester
TL;DR: Benzenecarbodithioic acid, 4-chloro-, ethyl ester (CAS 27249-72-5) is a chemical compound with molecular formula C9H9ClS2 and molecular weight 215.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chlorobenzenecarbodithioate
Also Known As: ethyl 4-chlorobenzodithioate, Benzenecarbodithioic acid, 4-chloro-, ethyl ester, Ethyl 4-chlorobenzenecarbodithioate, ethyl 4-chlorobenzene-1-carbodithioate, Benzoic acid, p-chlorodithio-, ethyl ester
| Molecular Formula | C9H9ClS2 |
|---|---|
| Molecular Weight | 215.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.98341 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 27249-72-5 |
|---|---|
| SMILES | CCSC(=S)C1=CC=C(C=C1)Cl |
| InChIKey | BCEZCHSBPQSZFS-UHFFFAOYSA-N |
Product Overview
Benzenecarbodithioic acid, 4-chloro-, ethyl ester (CAS 27249-72-5), with molecular formula C9H9ClS2 and molecular weight 215.98 g/mol. IUPAC: ethyl 4-chlorobenzenecarbodithioate.
Chemical Property Profile of Benzenecarbodithioic acid, 4-chloro-, ethyl ester
Property Insights of Benzenecarbodithioic acid, 4-chloro-, ethyl ester
The XLogP value of 3.9 indicates that Benzenecarbodithioic acid, 4-chloro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Benzenecarbodithioic acid, 4-chloro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbodithioic acid, 4-chloro-, ethyl ester has 0 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 Benzenecarbodithioic acid, 4-chloro-, ethyl ester?
The CAS number of Benzenecarbodithioic acid, 4-chloro-, ethyl ester is 27249-72-5.
What is the molecular formula of Benzenecarbodithioic acid, 4-chloro-, ethyl ester?
The molecular formula of Benzenecarbodithioic acid, 4-chloro-, ethyl ester is C9H9ClS2.
What is the molecular weight of Benzenecarbodithioic acid, 4-chloro-, ethyl ester?
The molecular weight of Benzenecarbodithioic acid, 4-chloro-, ethyl ester is 215.98 g/mol.
Where can I buy Benzenecarbodithioic acid, 4-chloro-, ethyl ester?
You can request a quote for Benzenecarbodithioic acid, 4-chloro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbodithioic acid, 4-chloro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbodithioic acid, 4-chloro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.