1-Methyl-3-((2-methylpropyl)thio)benzene
TL;DR: 1-Methyl-3-((2-methylpropyl)thio)benzene (CAS 54576-36-2) is a chemical compound with molecular formula C11H16S and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(2-methylpropylsulfanyl)benzene
Also Known As: isobutyl(m-tolyl)sulfane, Isobutyl(m-tolyl) sulfide, Isobutyl (m-tolyl) sulfide, 1-METHYL-3-((2-METHYLPROPYL)THIO)BENZENE, 1-(Isobutylsulfanyl)-3-methylbenzene
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 54576-36-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)SCC(C)C |
| InChIKey | KRXIEQVZXKGPPE-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-((2-methylpropyl)thio)benzene (CAS 54576-36-2), with molecular formula C11H16S and molecular weight 180.10 g/mol. IUPAC: 1-methyl-3-(2-methylpropylsulfanyl)benzene.
Chemical Property Profile of 1-Methyl-3-((2-methylpropyl)thio)benzene
Property Insights of 1-Methyl-3-((2-methylpropyl)thio)benzene
The XLogP value of 4.1 indicates that 1-Methyl-3-((2-methylpropyl)thio)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Methyl-3-((2-methylpropyl)thio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-((2-methylpropyl)thio)benzene 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 1-Methyl-3-((2-methylpropyl)thio)benzene?
The CAS number of 1-Methyl-3-((2-methylpropyl)thio)benzene is 54576-36-2.
What is the molecular formula of 1-Methyl-3-((2-methylpropyl)thio)benzene?
The molecular formula of 1-Methyl-3-((2-methylpropyl)thio)benzene is C11H16S.
What is the molecular weight of 1-Methyl-3-((2-methylpropyl)thio)benzene?
The molecular weight of 1-Methyl-3-((2-methylpropyl)thio)benzene is 180.10 g/mol.
Where can I buy 1-Methyl-3-((2-methylpropyl)thio)benzene?
You can request a quote for 1-Methyl-3-((2-methylpropyl)thio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-((2-methylpropyl)thio)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-((2-methylpropyl)thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.