4-Methylbenzenethiol
TL;DR: 4-Methylbenzenethiol (CAS 106-45-6) is a chemical compound with molecular formula C7H8S and molecular weight 124.03467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylbenzenethiol
Also Known As: 4-Methylbenzenethiol, p-Thiocresol, p-Toluenethiol, 4-Methylthiophenol, 4-THIOCRESOL
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8S |
| Molecular Weight | 124.03467 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.03467 Da |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | 43-44 °C |
| Boiling Point | 195 °C @ 760 mm Hg |
| Density | 1.2475 @ 55°C |
| Flash Point | 68 °C |
| Vapor Pressure | 0.8 [mmHg] |
| Solubility | Insol in water; sol in alcohol, ether |
| SMILES | CC1=CC=C(C=C1)S |
| InChIKey | WLHCBQAPPJAULW-UHFFFAOYSA-N |
Product Description
Applications: 4-Methylbenzenethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 4-Methylbenzenethiol (CAS 106-45-6) has the molecular formula C7H8S and a molecular weight of 124.03 g/mol. Reported properties include a density of 1.2475 @ 55°C g/cm³, a solubility: Insol in water; sol in alcohol, ether. Synonyms include 4-Methylbenzenethiol and p-Thiocresol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 124.03467 g/mol.
What are the applications of 4-Methylbenzenethiol?
4-Methylbenzenethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-Methylbenzenethiol?
You can request a quote for 4-Methylbenzenethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylbenzenethiol?
Yes, CoreyChem provides custom synthesis services for 4-Methylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.