2,4-Dimethylbenzenethiol
TL;DR: 2,4-Dimethylbenzenethiol (CAS 13616-82-5) 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.
2,4-dimethylbenzenethiol
Also Known As: 2,4-Dimethylbenzenethiol, 2,4-Dimethylthiophenol, 2,4-Thioxylenol, 2,4-Xylenethiol, Thioxylenol
| 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 | 90.0 |
Chemical Identifiers
| CAS Number | 13616-82-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S)C |
| InChIKey | AMNLXDDJGGTIPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethylbenzenethiol (CAS 13616-82-5), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 2,4-dimethylbenzenethiol.
Chemical Property Profile of 2,4-Dimethylbenzenethiol
Property Insights of 2,4-Dimethylbenzenethiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethylbenzenethiol. With a topological polar surface area (TPSA) of 1.0 Ų, 2,4-Dimethylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethylbenzenethiol 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 2,4-Dimethylbenzenethiol?
The CAS number of 2,4-Dimethylbenzenethiol is 13616-82-5.
What is the molecular formula of 2,4-Dimethylbenzenethiol?
The molecular formula of 2,4-Dimethylbenzenethiol is C8H10S.
What is the molecular weight of 2,4-Dimethylbenzenethiol?
The molecular weight of 2,4-Dimethylbenzenethiol is 138.05 g/mol.
Where can I buy 2,4-Dimethylbenzenethiol?
You can request a quote for 2,4-Dimethylbenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethylbenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.