3,4-Dichlorobenzenethiol
TL;DR: 3,4-Dichlorobenzenethiol (CAS 5858-17-3) is a chemical compound with molecular formula C6H4Cl2S and molecular weight 177.94107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dichlorobenzenethiol
Also Known As: 3,4-Dichlorothiophenol, 3,4-Dichlorobenzenethiol, 3,4-Dichloro thiophenol, 1,2-Dichloro-4-benzenethiol, Benzenethiol, 3,4-dichloro-
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4Cl2S |
| Molecular Weight | 177.94107 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.94107 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| SMILES | C1=CC(=C(C=C1S)Cl)Cl |
| InChIKey | HNJZDPKMMZXSKT-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dichlorobenzenethiol
Property Insights of 3,4-Dichlorobenzenethiol
The XLogP value of 3.5 indicates that 3,4-Dichlorobenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 3,4-Dichlorobenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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
What is the CAS number of 3,4-Dichlorobenzenethiol?
The CAS number of 3,4-Dichlorobenzenethiol is 5858-17-3.
What is the molecular formula of 3,4-Dichlorobenzenethiol?
The molecular formula of 3,4-Dichlorobenzenethiol is C6H4Cl2S.
What is the molecular weight of 3,4-Dichlorobenzenethiol?
The molecular weight of 3,4-Dichlorobenzenethiol is 177.94107 g/mol.
Where can I buy 3,4-Dichlorobenzenethiol?
You can request a quote for 3,4-Dichlorobenzenethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dichlorobenzenethiol?
Yes, CoreyChem provides custom synthesis services for 3,4-Dichlorobenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.