3,5-Dichlorobenzenethiol
TL;DR: 3,5-Dichlorobenzenethiol (CAS 17231-94-6) is a chemical compound with molecular formula C6H4Cl2S and molecular weight 177.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichlorobenzenethiol
Also Known As: 3,5-Dichlorothiophenol, 3,5-Dichlorobenzenethiol, 3,5-Dichloro thiophenol, 3,5-dichlorobenzene-1-thiol, 3,5-dichloro-thiophenol
| Molecular Formula | C6H4Cl2S |
|---|---|
| Molecular Weight | 177.94 g/mol |
| LogP | 3.2821 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.94107 |
| Heavy Atoms | 9 |
| Complexity | 171.82007 |
Chemical Identifiers
| CAS Number | 17231-94-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1Cl)Cl)S |
Product Overview
3,5-Dichlorobenzenethiol (CAS 17231-94-6), with molecular formula C6H4Cl2S and molecular weight 177.94 g/mol. IUPAC: 3,5-dichlorobenzenethiol.
Chemical Property Profile of 3,5-Dichlorobenzenethiol
Property Insights of 3,5-Dichlorobenzenethiol
The XLogP value of 3.2821 indicates that 3,5-Dichlorobenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Dichlorobenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichlorobenzenethiol 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 3,5-Dichlorobenzenethiol?
The CAS number of 3,5-Dichlorobenzenethiol is 17231-94-6.
What is the molecular formula of 3,5-Dichlorobenzenethiol?
The molecular formula of 3,5-Dichlorobenzenethiol is C6H4Cl2S.
What is the molecular weight of 3,5-Dichlorobenzenethiol?
The molecular weight of 3,5-Dichlorobenzenethiol is 177.94 g/mol.
Where can I buy 3,5-Dichlorobenzenethiol?
You can request a quote for 3,5-Dichlorobenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichlorobenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichlorobenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.