Dithio-p-benzoquinone
TL;DR: Dithio-p-benzoquinone (CAS 84615-33-8) is a chemical compound with molecular formula C6H4S2 and molecular weight 139.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexa-2,5-diene-1,4-dithione
Also Known As: Dithio-p-benzoquinone, dithiobenzoquinone, 1,4-Benzenedithione, dithio para-benzoquinone, cyclohexa-2,5-diene-1,4-dithione
| Molecular Formula | C6H4S2 |
|---|---|
| Molecular Weight | 139.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.97545 |
| Heavy Atoms | 8 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 84615-33-8 |
|---|---|
| SMILES | C1=CC(=S)C=CC1=S |
| InChIKey | XTXHUAJQPRGJDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithio-p-benzoquinone (CAS 84615-33-8), with molecular formula C6H4S2 and molecular weight 139.98 g/mol. IUPAC: cyclohexa-2,5-diene-1,4-dithione.
Chemical Property Profile of Dithio-p-benzoquinone
Property Insights of Dithio-p-benzoquinone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithio-p-benzoquinone. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithio-p-benzoquinone. Following Lipinski's Rule of Five, Dithio-p-benzoquinone 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 Dithio-p-benzoquinone?
The CAS number of Dithio-p-benzoquinone is 84615-33-8.
What is the molecular formula of Dithio-p-benzoquinone?
The molecular formula of Dithio-p-benzoquinone is C6H4S2.
What is the molecular weight of Dithio-p-benzoquinone?
The molecular weight of Dithio-p-benzoquinone is 139.98 g/mol.
Where can I buy Dithio-p-benzoquinone?
You can request a quote for Dithio-p-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithio-p-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for Dithio-p-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.