![[2-(Benzylsulfanyl)ethyl]benzene structure](/static/products/3905/39050-13-0.webp)
[2-(Benzylsulfanyl)ethyl]benzene
TL;DR: [2-(Benzylsulfanyl)ethyl]benzene (CAS 39050-13-0) is a chemical compound with molecular formula C15H16S and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanylethylbenzene
Also Known As: [2-(benzylsulfanyl)ethyl]benzene|Benzylphenethyl sulfide|Phenethylbenzyl sulfide|Benzyl-phenaethyl-sulfid|2-benzylsulfanylethylbenzene|2-Benzylmercapto-1-phenyl-aethan|KST-1A4494|J2.333.502F
| Molecular Formula | C15H16S |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.09727 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 39050-13-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSCC2=CC=CC=C2 |
| InChIKey | QCCMFIZEODIDSL-UHFFFAOYSA-N |
Product Overview
[2-(Benzylsulfanyl)ethyl]benzene (CAS 39050-13-0), with molecular formula C15H16S and molecular weight 228.10 g/mol. IUPAC: 2-benzylsulfanylethylbenzene.
Chemical Property Profile of [2-(Benzylsulfanyl)ethyl]benzene
Property Insights of [2-(Benzylsulfanyl)ethyl]benzene
The XLogP value of 4.3 indicates that [2-(Benzylsulfanyl)ethyl]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, [2-(Benzylsulfanyl)ethyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Benzylsulfanyl)ethyl]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 [2-(Benzylsulfanyl)ethyl]benzene?
The CAS number of [2-(Benzylsulfanyl)ethyl]benzene is 39050-13-0.
What is the molecular formula of [2-(Benzylsulfanyl)ethyl]benzene?
The molecular formula of [2-(Benzylsulfanyl)ethyl]benzene is C15H16S.
What is the molecular weight of [2-(Benzylsulfanyl)ethyl]benzene?
The molecular weight of [2-(Benzylsulfanyl)ethyl]benzene is 228.10 g/mol.
Where can I buy [2-(Benzylsulfanyl)ethyl]benzene?
You can request a quote for [2-(Benzylsulfanyl)ethyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Benzylsulfanyl)ethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [2-(Benzylsulfanyl)ethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.