Benzene, 1-methyl-3-(methylthio)-
TL;DR: Benzene, 1-methyl-3-(methylthio)- (CAS 4886-77-5) 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.
1-methyl-3-methylsulfanylbenzene
Also Known As: 3-Methylthioanisole, Methyl m-tolyl sulfide, m-Methylthioanisole, 3-Methylthiotoluene, 3-Methyl thioanisole
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 3.2 |
| 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 | 4886-77-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SC |
| InChIKey | HCQVSQDSAZSABA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-3-(methylthio)- (CAS 4886-77-5), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 1-methyl-3-methylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-methyl-3-(methylthio)-
Property Insights of Benzene, 1-methyl-3-(methylthio)-
The XLogP value of 3.2 indicates that Benzene, 1-methyl-3-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, 1-methyl-3-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-3-(methylthio)- 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 Benzene, 1-methyl-3-(methylthio)-?
The CAS number of Benzene, 1-methyl-3-(methylthio)- is 4886-77-5.
What is the molecular formula of Benzene, 1-methyl-3-(methylthio)-?
The molecular formula of Benzene, 1-methyl-3-(methylthio)- is C8H10S.
What is the molecular weight of Benzene, 1-methyl-3-(methylthio)-?
The molecular weight of Benzene, 1-methyl-3-(methylthio)- is 138.05 g/mol.
Where can I buy Benzene, 1-methyl-3-(methylthio)-?
You can request a quote for Benzene, 1-methyl-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methyl-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.