2-Methylallyl O-tolyl sulfide
TL;DR: 2-Methylallyl O-tolyl sulfide (CAS 24309-29-3) is a chemical compound with molecular formula C11H14S and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(2-methylprop-2-enylsulfanyl)benzene
Also Known As: 2-METHYLALLYL O-TOLYL SULFIDE, 1-methyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]benzene, 1-methyl-2-(2-methylprop-2-enylsulfanyl)benzene, 666-243-5, RefChem:475938
| Molecular Formula | C11H14S |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.66322 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.08162 |
| Heavy Atoms | 12 |
| Complexity | 276.08752 |
Chemical Identifiers
| CAS Number | 24309-29-3 |
|---|---|
| SMILES | CC1=CC=CC=C1SCC(=C)C |
Product Overview
2-Methylallyl O-tolyl sulfide (CAS 24309-29-3), with molecular formula C11H14S and molecular weight 178.08 g/mol. IUPAC: 1-methyl-2-(2-methylprop-2-enylsulfanyl)benzene.
Chemical Property Profile of 2-Methylallyl O-tolyl sulfide
Property Insights of 2-Methylallyl O-tolyl sulfide
The XLogP value of 3.66322 indicates that 2-Methylallyl O-tolyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methylallyl O-tolyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylallyl O-tolyl sulfide 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 2-Methylallyl O-tolyl sulfide?
The CAS number of 2-Methylallyl O-tolyl sulfide is 24309-29-3.
What is the molecular formula of 2-Methylallyl O-tolyl sulfide?
The molecular formula of 2-Methylallyl O-tolyl sulfide is C11H14S.
What is the molecular weight of 2-Methylallyl O-tolyl sulfide?
The molecular weight of 2-Methylallyl O-tolyl sulfide is 178.08 g/mol.
Where can I buy 2-Methylallyl O-tolyl sulfide?
You can request a quote for 2-Methylallyl O-tolyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylallyl O-tolyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylallyl O-tolyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.