2,5-Cyclohexadien-1-one, 4-thioxo-
TL;DR: 2,5-Cyclohexadien-1-one, 4-thioxo- (CAS 84615-34-9) is a chemical compound with molecular formula C6H4OS and molecular weight 124.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanylidenecyclohexa-2,5-dien-1-one
Also Known As: thiobenzoquinone, monothio para-benzoquinone, 2,5-Cyclohexadien-1-one, 4-thioxo-, 4-sulfanylidenecyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one,4-thioxo
| Molecular Formula | C6H4OS |
|---|---|
| Molecular Weight | 124.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.99828 |
| Heavy Atoms | 8 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 84615-34-9 |
|---|---|
| SMILES | C1=CC(=S)C=CC1=O |
| InChIKey | IHCMWJVAKYLRGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Cyclohexadien-1-one, 4-thioxo- (CAS 84615-34-9), with molecular formula C6H4OS and molecular weight 124.00 g/mol. IUPAC: 4-sulfanylidenecyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 4-thioxo-
Property Insights of 2,5-Cyclohexadien-1-one, 4-thioxo-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadien-1-one, 4-thioxo-. With a topological polar surface area (TPSA) of 49.2 Ų, 2,5-Cyclohexadien-1-one, 4-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 4-thioxo- 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 2,5-Cyclohexadien-1-one, 4-thioxo-?
The CAS number of 2,5-Cyclohexadien-1-one, 4-thioxo- is 84615-34-9.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 4-thioxo-?
The molecular formula of 2,5-Cyclohexadien-1-one, 4-thioxo- is C6H4OS.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 4-thioxo-?
The molecular weight of 2,5-Cyclohexadien-1-one, 4-thioxo- is 124.00 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 4-thioxo-?
You can request a quote for 2,5-Cyclohexadien-1-one, 4-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 4-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 4-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.