苯硫酚
TL;DR: 苯硫酚 (CAS 108-98-5) is a chemical compound with molecular formula C6H6S and molecular weight 110.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯硫酚
benzenethiol
Also Known As: Benzenethiol, Mercaptobenzene, Phenyl mercaptan, Phenylthiol, Phenylmercaptan
| Molecular Formula | C6H6S |
|---|---|
| Molecular Weight | 110.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.01902 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
| Melting Point | -14.8 °C |
| Boiling Point | 168.3 °C at 760 mmHg |
| Density | 1.0728 at 25.0 °C |
| Solubility | 0.08 % at 77 °F (NIOSH, 2024) |
| Flash Point | 52.8 °C |
| Vapor Pressure | 1 mmHg at 18.6 °C |
| Refractive Index | 1.5893 at 20 °C |
Chemical Identifiers
| CAS Number | 108-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S |
| InChIKey | RMVRSNDYEFQCLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯硫酚 (CAS 108-98-5), with molecular formula C6H6S and molecular weight 110.02 g/mol. IUPAC: benzenethiol.
Chemical Property Profile of 苯硫酚
Property Insights of 苯硫酚
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯硫酚. With a topological polar surface area (TPSA) of 1.0 Ų, 苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯硫酚 has 1 hydrogen bond donor(s) and 1 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 苯硫酚?
The CAS number of 苯硫酚 is 108-98-5.
What is the molecular formula of 苯硫酚?
The molecular formula of 苯硫酚 is C6H6S.
What is the molecular weight of 苯硫酚?
The molecular weight of 苯硫酚 is 110.02 g/mol.
Where can I buy 苯硫酚?
You can request a quote for 苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.