Sulfide, isobutyl o-tolyl
TL;DR: Sulfide, isobutyl o-tolyl (CAS 15561-00-9) is a chemical compound with molecular formula C11H16S and molecular weight 180.09727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-(2-methylpropylsulfanyl)benzene
Also Known As: Sulfide, isobutyl o-tolyl, Isobutyl(o-tolyl) sulfide, isobutyl(o-tolyl)sulfane, 1-methyl-2-(2-methylpropylsulfanyl)benzene, 1-(Isobutylsulfanyl)-2-methylbenzene #
Technical Specifications
| Molecular Formula | C11H16S |
| Molecular Weight | 180.09727 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.09727 Da |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
| SMILES | CC1=CC=CC=C1SCC(C)C |
| InChIKey | JSFCLQCJAFPJOR-UHFFFAOYSA-N |
Chemical Property Profile of Sulfide, isobutyl o-tolyl
Property Insights of Sulfide, isobutyl o-tolyl
The XLogP value of 4.1 indicates that Sulfide, isobutyl o-tolyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Sulfide, isobutyl o-tolyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfide, isobutyl o-tolyl 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
What is the CAS number of Sulfide, isobutyl o-tolyl?
The CAS number of Sulfide, isobutyl o-tolyl is 15561-00-9.
What is the molecular formula of Sulfide, isobutyl o-tolyl?
The molecular formula of Sulfide, isobutyl o-tolyl is C11H16S.
What is the molecular weight of Sulfide, isobutyl o-tolyl?
The molecular weight of Sulfide, isobutyl o-tolyl is 180.09727 g/mol.
Where can I buy Sulfide, isobutyl o-tolyl?
You can request a quote for Sulfide, isobutyl o-tolyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfide, isobutyl o-tolyl?
Yes, CoreyChem provides custom synthesis services for Sulfide, isobutyl o-tolyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.