4-巯基苯酚
TL;DR: 4-巯基苯酚 (CAS 72772-82-8) is a chemical compound with molecular formula C6H6OS and molecular weight 126.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-巯基苯酚
4-sulfanylphenol
Also Known As: 4-Mercaptophenol, 4-Hydroxythiophenol, 4-Sulfanylphenol, p-Mercaptophenol, 4-Hydroxybenzenethiol
| Molecular Formula | C6H6OS |
|---|---|
| Molecular Weight | 126.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.01394 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 72772-82-8 |
|---|---|
| SMILES | C1=CC(=CC=C1O)S |
| InChIKey | BXAVKNRWVKUTLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-巯基苯酚 (CAS 72772-82-8), with molecular formula C6H6OS and molecular weight 126.01 g/mol. IUPAC: 4-sulfanylphenol.
Chemical Property Profile of 4-巯基苯酚
Property Insights of 4-巯基苯酚
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-巯基苯酚. With a topological polar surface area (TPSA) of 21.2 Ų, 4-巯基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-巯基苯酚 has 2 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 4-巯基苯酚?
The CAS number of 4-巯基苯酚 is 72772-82-8.
What is the molecular formula of 4-巯基苯酚?
The molecular formula of 4-巯基苯酚 is C6H6OS.
What is the molecular weight of 4-巯基苯酚?
The molecular weight of 4-巯基苯酚 is 126.01 g/mol.
Where can I buy 4-巯基苯酚?
You can request a quote for 4-巯基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-巯基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 4-巯基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.