4-Chlorobenzenecarbodithioic acid
TL;DR: 4-Chlorobenzenecarbodithioic acid (CAS 2168-82-3) is a chemical compound with molecular formula C7H5ClS2 and molecular weight 187.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobenzenecarbodithioic acid
Also Known As: 4-chlorobenzodithioic acid, 4-chlorobenzenecarbodithioic Acid
| Molecular Formula | C7H5ClS2 |
|---|---|
| Molecular Weight | 187.95 g/mol |
| LogP | 2.9453 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.95212 |
| Heavy Atoms | 10 |
| Complexity | 240.28795 |
Chemical Identifiers
| CAS Number | 2168-82-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=S)S)Cl |
Product Overview
4-Chlorobenzenecarbodithioic acid (CAS 2168-82-3), with molecular formula C7H5ClS2 and molecular weight 187.95 g/mol. IUPAC: 4-chlorobenzenecarbodithioic acid.
Chemical Property Profile of 4-Chlorobenzenecarbodithioic acid
Property Insights of 4-Chlorobenzenecarbodithioic acid
The XLogP value of 2.9453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorobenzenecarbodithioic acid. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chlorobenzenecarbodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzenecarbodithioic acid has 1 hydrogen bond donor(s) and 1 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 4-Chlorobenzenecarbodithioic acid?
The CAS number of 4-Chlorobenzenecarbodithioic acid is 2168-82-3.
What is the molecular formula of 4-Chlorobenzenecarbodithioic acid?
The molecular formula of 4-Chlorobenzenecarbodithioic acid is C7H5ClS2.
What is the molecular weight of 4-Chlorobenzenecarbodithioic acid?
The molecular weight of 4-Chlorobenzenecarbodithioic acid is 187.95 g/mol.
Where can I buy 4-Chlorobenzenecarbodithioic acid?
You can request a quote for 4-Chlorobenzenecarbodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzenecarbodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzenecarbodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.