3-Thiocresol
TL;DR: 3-Thiocresol (CAS 108-40-7) 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.
3-methylbenzenethiol
Also Known As: 3-Methylbenzenethiol, m-Thiocresol, m-Toluenethiol, 3-Methylthiophenol, 3-THIOCRESOL
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8S |
| Molecular Weight | 124.03467 g/mol |
| XLogP | 2.8 |
| 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 | Below -20 °C |
| Boiling Point | 195 °C |
| Density | 1.044 @ 20 °C/4 °C |
| Flash Point | 73 °C |
| Vapor Pressure | 0.8 [mmHg] |
| Refractive Index | Index of refraction 1.572 °C/4 °C |
| Solubility | Insol in water; sol in alcohol, ether |
| SMILES | CC1=CC(=CC=C1)S |
| InChIKey | WRXOZRLZDJAYDR-UHFFFAOYSA-N |
Product Description
Applications: 3-Thiocresol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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, 3-Thiocresol (CAS 108-40-7) has the molecular formula C7H8S and a molecular weight of 124.03 g/mol. Reported properties include a density of 1.044 @ 20 °C/4 °C g/cm³, a solubility: Insol in water; sol in alcohol, ether. Synonyms include 3-Methylbenzenethiol and m-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 3-Thiocresol
Property Insights of 3-Thiocresol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiocresol. With a topological polar surface area (TPSA) of 1.0 Ų, 3-Thiocresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Thiocresol?
The CAS number of 3-Thiocresol is 108-40-7.
What is the molecular formula of 3-Thiocresol?
The molecular formula of 3-Thiocresol is C7H8S.
What is the molecular weight of 3-Thiocresol?
The molecular weight of 3-Thiocresol is 124.03467 g/mol.
What are the applications of 3-Thiocresol?
3-Thiocresol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Thiocresol?
You can request a quote for 3-Thiocresol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Thiocresol?
Yes, CoreyChem provides custom synthesis services for 3-Thiocresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.