4-Methylbenzenethiol
TL;DR: 4-Methylbenzenethiol (CAS 106-45-6) is a chemical compound with molecular formula C7H8S and molecular weight 124.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenethiol
Also Known As: 4-Methylbenzenethiol, p-Thiocresol, p-Toluenethiol, 4-Methylthiophenol, 4-THIOCRESOL
| Molecular Formula | C7H8S |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.03467 |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | 43-44 °C |
| Boiling Point | 195 °C @ 760 mm Hg |
| Density | 1.2475 @ 55°C |
| Solubility | Insol in water; sol in alcohol, ether |
| Flash Point | 68 °C |
| Vapor Pressure | 0.8 [mmHg] |
Chemical Identifiers
| CAS Number | 106-45-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S |
| InChIKey | WLHCBQAPPJAULW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbenzenethiol (CAS 106-45-6), with molecular formula C7H8S and molecular weight 124.03 g/mol. IUPAC: 4-methylbenzenethiol.
Chemical Property Profile of 4-Methylbenzenethiol
Property Insights of 4-Methylbenzenethiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzenethiol. With a topological polar surface area (TPSA) of 1.0 Ų, 4-Methylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzenethiol 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 4-Methylbenzenethiol?
The CAS number of 4-Methylbenzenethiol is 106-45-6.
What is the molecular formula of 4-Methylbenzenethiol?
The molecular formula of 4-Methylbenzenethiol is C7H8S.
What is the molecular weight of 4-Methylbenzenethiol?
The molecular weight of 4-Methylbenzenethiol is 124.03 g/mol.
Where can I buy 4-Methylbenzenethiol?
You can request a quote for 4-Methylbenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.