Methyl 2-methylbenzyl sulfide
TL;DR: Methyl 2-methylbenzyl sulfide (CAS 5925-79-1) is a chemical compound with molecular formula C9H12S and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(methylsulfanylmethyl)benzene
Also Known As: Methyl 2-methylbenzyl sulfide, (methylthiomethyl)toluene, methyl(2-methylbenzyl)sulfane, 1-methyl-2-(methylsulfanylmethyl)benzene, 1-Methyl-2-[(methylsulfanyl)methyl]benzene
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 5925-79-1 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC |
| InChIKey | YBVQXWLUJTZFON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methylbenzyl sulfide (CAS 5925-79-1), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: 1-methyl-2-(methylsulfanylmethyl)benzene.
Chemical Property Profile of Methyl 2-methylbenzyl sulfide
Property Insights of Methyl 2-methylbenzyl sulfide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methylbenzyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Methyl 2-methylbenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methylbenzyl sulfide 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 Methyl 2-methylbenzyl sulfide?
The CAS number of Methyl 2-methylbenzyl sulfide is 5925-79-1.
What is the molecular formula of Methyl 2-methylbenzyl sulfide?
The molecular formula of Methyl 2-methylbenzyl sulfide is C9H12S.
What is the molecular weight of Methyl 2-methylbenzyl sulfide?
The molecular weight of Methyl 2-methylbenzyl sulfide is 152.07 g/mol.
Where can I buy Methyl 2-methylbenzyl sulfide?
You can request a quote for Methyl 2-methylbenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methylbenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methylbenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.