1-Methyl-2-(methylsulfanyl)benzene
TL;DR: 1-Methyl-2-(methylsulfanyl)benzene (CAS 2388-73-0) 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.
1-methyl-2-methylsulfanylbenzene
Also Known As: Methyl o-tolyl sulfide, methyl(o-tolyl)sulfane, 2-methylthioanisole, 1-Methyl-2-(methylsulfanyl)benzene, 2-Methylbenzyl mercaptan
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 2388-73-0 |
|---|---|
| SMILES | CC1=CC=CC=C1SC |
| InChIKey | BHWJMPDCCDMCKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2-(methylsulfanyl)benzene (CAS 2388-73-0), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 1-methyl-2-methylsulfanylbenzene.
Chemical Property Profile of 1-Methyl-2-(methylsulfanyl)benzene
Property Insights of 1-Methyl-2-(methylsulfanyl)benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-(methylsulfanyl)benzene. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Methyl-2-(methylsulfanyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(methylsulfanyl)benzene has 0 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 1-Methyl-2-(methylsulfanyl)benzene?
The CAS number of 1-Methyl-2-(methylsulfanyl)benzene is 2388-73-0.
What is the molecular formula of 1-Methyl-2-(methylsulfanyl)benzene?
The molecular formula of 1-Methyl-2-(methylsulfanyl)benzene is C8H10S.
What is the molecular weight of 1-Methyl-2-(methylsulfanyl)benzene?
The molecular weight of 1-Methyl-2-(methylsulfanyl)benzene is 138.05 g/mol.
Where can I buy 1-Methyl-2-(methylsulfanyl)benzene?
You can request a quote for 1-Methyl-2-(methylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(methylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(methylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.