Phenylthiobenzoquinone
TL;DR: Phenylthiobenzoquinone (CAS 18232-03-6) is a chemical compound with molecular formula C12H8O2S and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylcyclohexa-2,5-diene-1,4-dione
Also Known As: Phenylthiobenzoquinone, p-Benzoquinone, 2-(phenylthio)-, 2-(Phenylthio)-p-benzoquinone, p-Benzoquinone,2-(phenylthio), 2-phenylthio-1,4-benzoquinone
| Molecular Formula | C12H8O2S |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0245 |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 18232-03-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC(=O)C=CC2=O |
| InChIKey | JRXZLRYQEYLRQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylthiobenzoquinone (CAS 18232-03-6), with molecular formula C12H8O2S and molecular weight 216.02 g/mol. IUPAC: 2-phenylsulfanylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Phenylthiobenzoquinone
Property Insights of Phenylthiobenzoquinone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthiobenzoquinone. With a topological polar surface area (TPSA) of 59.4 Ų, Phenylthiobenzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylthiobenzoquinone has 0 hydrogen bond donor(s) and 3 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 Phenylthiobenzoquinone?
The CAS number of Phenylthiobenzoquinone is 18232-03-6.
What is the molecular formula of Phenylthiobenzoquinone?
The molecular formula of Phenylthiobenzoquinone is C12H8O2S.
What is the molecular weight of Phenylthiobenzoquinone?
The molecular weight of Phenylthiobenzoquinone is 216.02 g/mol.
Where can I buy Phenylthiobenzoquinone?
You can request a quote for Phenylthiobenzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylthiobenzoquinone?
Yes, KEHONG BIO provides custom synthesis services for Phenylthiobenzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.