Thiophenol
TL;DR: Thiophenol (CAS 108-98-5) is a chemical compound with molecular formula C6H6S and molecular weight 110.01902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzenethiol
Also Known As: Benzenethiol, Mercaptobenzene, Phenyl mercaptan, Phenylthiol, Phenylmercaptan
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6S |
| Molecular Weight | 110.01902 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.01902 Da |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
| Melting Point | 5.4 °F (EPA, 1998) |
| Boiling Point | 334.9 °F at 760 mmHg (EPA, 1998) |
| Density | 1.0728 at 77 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 127 °F (USCG, 1999) |
| Vapor Pressure | 1 mmHg at 65.48 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.5893 at 20 °C/D |
| Solubility | 0.08 % at 77 °F (NIOSH, 2024) |
| SMILES | C1=CC=C(C=C1)S |
| InChIKey | RMVRSNDYEFQCLF-UHFFFAOYSA-N |
Product Description
Applications: Thiophenol 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. CoreyChem supplies Thiophenol (CAS 108-98-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Thiophenol is a heterocyclic building block identified by CAS number 108-98-5 and the molecular formula C6H6S and a molecular weight of 110.02 g/mol. Physically, the compound has a density of 1.0728 at 77 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: 0.08 % at 77 °F (NIOSH, 2024). It is also known as Benzenethiol and Mercaptobenzene.
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 Thiophenol
Property Insights of Thiophenol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophenol. With a topological polar surface area (TPSA) of 1.0 Ų, Thiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiophenol 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 Thiophenol?
The CAS number of Thiophenol is 108-98-5.
What is the molecular formula of Thiophenol?
The molecular formula of Thiophenol is C6H6S.
What is the molecular weight of Thiophenol?
The molecular weight of Thiophenol is 110.01902 g/mol.
What are the applications of Thiophenol?
Thiophenol 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. CoreyChem supplies Thiophenol (CAS 108-98-5) with custom...
Where can I buy Thiophenol?
You can request a quote for Thiophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiophenol?
Yes, CoreyChem provides custom synthesis services for Thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.