2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione (CAS 5831-37-8) is a chemical compound with molecular formula C13H10O2S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2-(p-Tolylthio)-p-benzoquinone, 2-p-Tolylsulfanyl-[1,4]benzoquinone, 2-(4-Methylphenylthio)-1,4-benzoquinone, 2-(4-methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione, J1.140.929F
| Molecular Formula | C13H10O2S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.04015 |
| Heavy Atoms | 16 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 5831-37-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC(=O)C=CC2=O |
| InChIKey | PAVXCXTZRWSPDO-UHFFFAOYSA-N |
Product Overview
2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione (CAS 5831-37-8), with molecular formula C13H10O2S and molecular weight 230.04 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 59.4 Ų, 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione 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 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione is 5831-37-8.
What is the molecular formula of 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione is C13H10O2S.
What is the molecular weight of 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione is 230.04 g/mol.
Where can I buy 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)sulfanylcyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.