1,3-Benzenedithiol
TL;DR: 1,3-Benzenedithiol (CAS 626-04-0) is a chemical compound with molecular formula C6H6S2 and molecular weight 141.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dithiol
Also Known As: 1,3-Benzenedithiol, Benzene-1,3-dithiol, dithioresorcin, dithioresorcinol, m-Dithioresorcinol
| Molecular Formula | C6H6S2 |
|---|---|
| Molecular Weight | 141.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.99109 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 626-04-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S)S |
| InChIKey | ZWOASCVFHSYHOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedithiol (CAS 626-04-0), with molecular formula C6H6S2 and molecular weight 141.99 g/mol. IUPAC: benzene-1,3-dithiol.
Chemical Property Profile of 1,3-Benzenedithiol
Property Insights of 1,3-Benzenedithiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedithiol. With a topological polar surface area (TPSA) of 2.0 Ų, 1,3-Benzenedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedithiol has 2 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 1,3-Benzenedithiol?
The CAS number of 1,3-Benzenedithiol is 626-04-0.
What is the molecular formula of 1,3-Benzenedithiol?
The molecular formula of 1,3-Benzenedithiol is C6H6S2.
What is the molecular weight of 1,3-Benzenedithiol?
The molecular weight of 1,3-Benzenedithiol is 141.99 g/mol.
Where can I buy 1,3-Benzenedithiol?
You can request a quote for 1,3-Benzenedithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedithiol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.