2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione
TL;DR: 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione (CAS 17058-53-6) is a chemical compound with molecular formula C18H12O2S2 and molecular weight 324.02786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(phenylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: USAF PD-18, 2,5-Bis(phenylthio)-p-benzoquinone, 2,5-Bis(phenylthio)benzoquinone, p-Benzoquinone, 2,5-bis(phenylthio)-, 2,5-Bis(phenylthio)-1,4-benzoquinone
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H12O2S2 |
| Molecular Weight | 324.02786 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.02786 Da |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
| SMILES | C1=CC=C(C=C1)SC2=CC(=O)C(=CC2=O)SC3=CC=CC=C3 |
| InChIKey | CQBMMTIVMOJHSO-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione
Property Insights of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione
The XLogP value of 4.6 indicates that 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione. Following Lipinski's Rule of Five, 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione is 17058-53-6.
What is the molecular formula of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione is C18H12O2S2.
What is the molecular weight of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione is 324.02786 g/mol.
Where can I buy 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.