1,3-Dimethoxy-2-(methylthio)benzene
TL;DR: 1,3-Dimethoxy-2-(methylthio)benzene (CAS 33617-67-3) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethoxy-2-methylsulfanylbenzene
Also Known As: 1,3-Dimethoxy-2-(methylthio)benzene, Benzene,1,3-dimethoxy-2-(methylthio)-, Maybridge4_000892, 1,3-dimethoxy-2-methylsulfanylbenzene, 2,6-dimethoxybenzenethiol
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 33617-67-3 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)SC |
| InChIKey | UASQOZQFGVJMFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethoxy-2-(methylthio)benzene (CAS 33617-67-3), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: 1,3-dimethoxy-2-methylsulfanylbenzene.
Chemical Property Profile of 1,3-Dimethoxy-2-(methylthio)benzene
Property Insights of 1,3-Dimethoxy-2-(methylthio)benzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethoxy-2-(methylthio)benzene. With a topological polar surface area (TPSA) of 43.8 Ų, 1,3-Dimethoxy-2-(methylthio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethoxy-2-(methylthio)benzene has 0 hydrogen bond donor(s) and 3 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 1,3-Dimethoxy-2-(methylthio)benzene?
The CAS number of 1,3-Dimethoxy-2-(methylthio)benzene is 33617-67-3.
What is the molecular formula of 1,3-Dimethoxy-2-(methylthio)benzene?
The molecular formula of 1,3-Dimethoxy-2-(methylthio)benzene is C9H12O2S.
What is the molecular weight of 1,3-Dimethoxy-2-(methylthio)benzene?
The molecular weight of 1,3-Dimethoxy-2-(methylthio)benzene is 184.06 g/mol.
Where can I buy 1,3-Dimethoxy-2-(methylthio)benzene?
You can request a quote for 1,3-Dimethoxy-2-(methylthio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethoxy-2-(methylthio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethoxy-2-(methylthio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.