2,6-Dimethylthiophenol
TL;DR: 2,6-Dimethylthiophenol (CAS 118-72-9) is a chemical compound with molecular formula C8H10S and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylbenzenethiol
Also Known As: 2,6-Dimethylthiophenol, 2,6-Dimethylbenzenethiol, 2,6-dimethyl thiophenol, 2,6-Xylenethiol, 2,6-Xylyl mercaptan
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Boiling Point | 122.00 °C. @ 50.00 mm Hg |
| Solubility | slightly |
Chemical Identifiers
| CAS Number | 118-72-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)S |
| InChIKey | QCLJODDRBGKIRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethylthiophenol (CAS 118-72-9), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 2,6-dimethylbenzenethiol.
Chemical Property Profile of 2,6-Dimethylthiophenol
Property Insights of 2,6-Dimethylthiophenol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethylthiophenol. With a topological polar surface area (TPSA) of 1.0 Ų, 2,6-Dimethylthiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylthiophenol 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 2,6-Dimethylthiophenol?
The CAS number of 2,6-Dimethylthiophenol is 118-72-9.
What is the molecular formula of 2,6-Dimethylthiophenol?
The molecular formula of 2,6-Dimethylthiophenol is C8H10S.
What is the molecular weight of 2,6-Dimethylthiophenol?
The molecular weight of 2,6-Dimethylthiophenol is 138.05 g/mol.
Where can I buy 2,6-Dimethylthiophenol?
You can request a quote for 2,6-Dimethylthiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylthiophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylthiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.