4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one
TL;DR: 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one (CAS 2889-61-4) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one
Also Known As: 2,5-Dihydroxythiophenol, 1-Thio-2,5-dihydroxybenzene, 1,4-Benzenediol, 2-mercapto-, 4-hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one, 2,5-Dihydroxycyclohexa-2,4-diene-1-thione
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 2889-61-4 |
|---|---|
| SMILES | C1C(=O)C=CC(=C1S)O |
| InChIKey | WIHVHOGDPZQWJZ-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one (CAS 2889-61-4), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: 4-hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one
Property Insights of 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one has 2 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 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one?
The CAS number of 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one is 2889-61-4.
What is the molecular formula of 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one?
The molecular formula of 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one is C6H6O2S.
What is the molecular weight of 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one?
The molecular weight of 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one is 142.01 g/mol.
Where can I buy 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one?
You can request a quote for 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.