2-Thiocresol
TL;DR: 2-Thiocresol (CAS 137-06-4) 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.
2-methylbenzenethiol
Also Known As: 2-Methylbenzenethiol, o-Toluenethiol, o-Thiocresol, 2-Methylthiophenol, 2-Toluenethiol
Application Areas
Top 5 of 20 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 | 70.0 |
| Melting Point | 15 °C |
| Boiling Point | 195 °C |
| Density | 1.041 @ 20 °C/4 °C |
| Flash Point | 64 °C |
| Vapor Pressure | 0.81 [mmHg] |
| Refractive Index | Index of refraction: 1.570 @ 20 °C/4 °C |
| Solubility | Sol in alcohol, ether; insol in water |
| SMILES | CC1=CC=CC=C1S |
| InChIKey | LXUNZSDDXMPKLP-UHFFFAOYSA-N |
Product Description
Applications: 2-Thiocresol is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Thiocresol (CAS 137-06-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, 2-Thiocresol (CAS 137-06-4) has the molecular formula C7H8S and a molecular weight of 124.03 g/mol. Reported properties include a density of 1.041 @ 20 °C/4 °C g/cm³, a solubility: Sol in alcohol, ether; insol in water. It is also known as 2-Methylbenzenethiol and o-Toluenethiol.
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 2-Thiocresol
Property Insights of 2-Thiocresol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiocresol. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Thiocresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiocresol 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 2-Thiocresol?
The CAS number of 2-Thiocresol is 137-06-4.
What is the molecular formula of 2-Thiocresol?
The molecular formula of 2-Thiocresol is C7H8S.
What is the molecular weight of 2-Thiocresol?
The molecular weight of 2-Thiocresol is 124.03467 g/mol.
What are the applications of 2-Thiocresol?
2-Thiocresol is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Thiocresol (CAS 137-06-4) with custom...
Where can I buy 2-Thiocresol?
You can request a quote for 2-Thiocresol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Thiocresol?
Yes, CoreyChem provides custom synthesis services for 2-Thiocresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.