Phenethyl phenyl sulfide
TL;DR: Phenethyl phenyl sulfide (CAS 13865-49-1) 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.
2-phenylethylsulfanylbenzene
Also Known As: Sulfide, phenethyl phenyl, 2-Phenylethyl phenyl sulfide, 2-phenylethylsulfanylbenzene, phenethylsulfanylbenzene, [2-(phenylsulfanyl)ethyl]benzene
| Molecular Formula | C14H14S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.08162 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 13865-49-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSC2=CC=CC=C2 |
| InChIKey | VRWWJIACGVONTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl phenyl sulfide (CAS 13865-49-1), with molecular formula C14H14S and molecular weight 214.08 g/mol. IUPAC: 2-phenylethylsulfanylbenzene.
Chemical Property Profile of Phenethyl phenyl sulfide
Property Insights of Phenethyl phenyl sulfide
The XLogP value of 4.4 indicates that Phenethyl phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Phenethyl phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl phenyl 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 Phenethyl phenyl sulfide?
The CAS number of Phenethyl phenyl sulfide is 13865-49-1.
What is the molecular formula of Phenethyl phenyl sulfide?
The molecular formula of Phenethyl phenyl sulfide is C14H14S.
What is the molecular weight of Phenethyl phenyl sulfide?
The molecular weight of Phenethyl phenyl sulfide is 214.08 g/mol.
Where can I buy Phenethyl phenyl sulfide?
You can request a quote for Phenethyl phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.