Benzene, 1-methoxy-2-(methylthio)-
TL;DR: Benzene, 1-methoxy-2-(methylthio)- (CAS 64951-09-3) is a chemical compound with molecular formula COC1=CC=CC=C1SC and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-2-methylsulfanylbenzene
Also Known As: 2-Methoxythioanisole, 2-Methoxy thioanisole, 1-methoxy-2-methylsulfanylbenzene, 2-(Methylthio)anisole, 1-methoxy-2-methylsulfanyl-benzene
| Molecular Formula | COC1=CC=CC=C1SC |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.04524 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 64951-09-3 |
|---|---|
| SMILES | COC1=CC=CC=C1SC |
| InChIKey | YCUXDIFPTHNTSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methoxy-2-(methylthio)- (CAS 64951-09-3), with molecular formula COC1=CC=CC=C1SC and molecular weight 154.05 g/mol. IUPAC: 1-methoxy-2-methylsulfanylbenzene.
Chemical Property Profile of Benzene, 1-methoxy-2-(methylthio)-
Property Insights of Benzene, 1-methoxy-2-(methylthio)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-methoxy-2-(methylthio)-. With a topological polar surface area (TPSA) of 34.5 Ų, Benzene, 1-methoxy-2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methoxy-2-(methylthio)- has 0 hydrogen bond donor(s) and 2 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-methoxy-2-(methylthio)-?
The CAS number of Benzene, 1-methoxy-2-(methylthio)- is 64951-09-3.
What is the molecular formula of Benzene, 1-methoxy-2-(methylthio)-?
The molecular formula of Benzene, 1-methoxy-2-(methylthio)- is COC1=CC=CC=C1SC.
What is the molecular weight of Benzene, 1-methoxy-2-(methylthio)-?
The molecular weight of Benzene, 1-methoxy-2-(methylthio)- is 154.05 g/mol.
Where can I buy Benzene, 1-methoxy-2-(methylthio)-?
You can request a quote for Benzene, 1-methoxy-2-(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-methoxy-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.