Benzyl(o-tolyl)sulfane
TL;DR: Benzyl(o-tolyl)sulfane (CAS 53136-20-2) is a chemical compound with molecular formula C14H14S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-2-methylbenzene
Also Known As: Benzyl(o-tolyl)sulfane, 2-Methylphenylbenzyl sulfide, Benzyl(2-methylphenyl) sulfide, 1-benzylsulfanyl-2-methylbenzene, 1-benzylsulfanyl-2-methyl-benzene
| Molecular Formula | C14H14S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 4.28732 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.08162 |
| Heavy Atoms | 15 |
| Complexity | 420.36365 |
Chemical Identifiers
| CAS Number | 53136-20-2 |
|---|---|
| SMILES | CC1=CC=CC=C1SCC2=CC=CC=C2 |
Product Overview
Benzyl(o-tolyl)sulfane (CAS 53136-20-2), with molecular formula C14H14S and molecular weight 214.08 g/mol. IUPAC: 1-benzylsulfanyl-2-methylbenzene.
Chemical Property Profile of Benzyl(o-tolyl)sulfane
Property Insights of Benzyl(o-tolyl)sulfane
The XLogP value of 4.28732 indicates that Benzyl(o-tolyl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzyl(o-tolyl)sulfane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl(o-tolyl)sulfane 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 Benzyl(o-tolyl)sulfane?
The CAS number of Benzyl(o-tolyl)sulfane is 53136-20-2.
What is the molecular formula of Benzyl(o-tolyl)sulfane?
The molecular formula of Benzyl(o-tolyl)sulfane is C14H14S.
What is the molecular weight of Benzyl(o-tolyl)sulfane?
The molecular weight of Benzyl(o-tolyl)sulfane is 214.08 g/mol.
Where can I buy Benzyl(o-tolyl)sulfane?
You can request a quote for Benzyl(o-tolyl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl(o-tolyl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(o-tolyl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.