3-Bromo-2-methyl-6-(methylthio)benzonitrile
TL;DR: 3-Bromo-2-methyl-6-(methylthio)benzonitrile (CAS 391200-06-9) is a chemical compound with molecular formula C9H8BrNS and molecular weight 240.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-methyl-6-methylsulfanylbenzonitrile
Also Known As: 3-bromo-2-methyl-6-(methylthio)benzonitrile, 3-bromo-2-methyl-6-methylsulfanyl-benzonitrile
| Molecular Formula | C9H8BrNS |
|---|---|
| Molecular Weight | 240.96 g/mol |
| LogP | 3.3511 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.95609 |
| Heavy Atoms | 12 |
| Complexity | 341.11716 |
Chemical Identifiers
| CAS Number | 391200-06-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C#N)SC)Br |
Product Overview
3-Bromo-2-methyl-6-(methylthio)benzonitrile (CAS 391200-06-9), with molecular formula C9H8BrNS and molecular weight 240.96 g/mol. IUPAC: 3-bromo-2-methyl-6-methylsulfanylbenzonitrile.
Chemical Property Profile of 3-Bromo-2-methyl-6-(methylthio)benzonitrile
Property Insights of 3-Bromo-2-methyl-6-(methylthio)benzonitrile
The XLogP value of 3.3511 indicates that 3-Bromo-2-methyl-6-(methylthio)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Bromo-2-methyl-6-(methylthio)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methyl-6-(methylthio)benzonitrile 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 3-Bromo-2-methyl-6-(methylthio)benzonitrile?
The CAS number of 3-Bromo-2-methyl-6-(methylthio)benzonitrile is 391200-06-9.
What is the molecular formula of 3-Bromo-2-methyl-6-(methylthio)benzonitrile?
The molecular formula of 3-Bromo-2-methyl-6-(methylthio)benzonitrile is C9H8BrNS.
What is the molecular weight of 3-Bromo-2-methyl-6-(methylthio)benzonitrile?
The molecular weight of 3-Bromo-2-methyl-6-(methylthio)benzonitrile is 240.96 g/mol.
Where can I buy 3-Bromo-2-methyl-6-(methylthio)benzonitrile?
You can request a quote for 3-Bromo-2-methyl-6-(methylthio)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-methyl-6-(methylthio)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-methyl-6-(methylthio)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.