S-Allylthiobenzene
TL;DR: S-Allylthiobenzene (CAS 5296-64-0) is a chemical compound with molecular formula C9H10S and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enylsulfanylbenzene
Also Known As: Allyl phenyl sulfide, (Allylthio)benzene, Allylsulfanylbenzene, Allyl(phenyl)sulfane, Phenyl allyl sulfide
| Molecular Formula | C9H10S |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.05032 |
| Heavy Atoms | 10 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 5296-64-0 |
|---|---|
| SMILES | C=CCSC1=CC=CC=C1 |
| InChIKey | QGNRLAFFKKBSIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Allylthiobenzene (CAS 5296-64-0), with molecular formula C9H10S and molecular weight 150.05 g/mol. IUPAC: prop-2-enylsulfanylbenzene.
Chemical Property Profile of S-Allylthiobenzene
Property Insights of S-Allylthiobenzene
The XLogP value of 3.5 indicates that S-Allylthiobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, S-Allylthiobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Allylthiobenzene 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 S-Allylthiobenzene?
The CAS number of S-Allylthiobenzene is 5296-64-0.
What is the molecular formula of S-Allylthiobenzene?
The molecular formula of S-Allylthiobenzene is C9H10S.
What is the molecular weight of S-Allylthiobenzene?
The molecular weight of S-Allylthiobenzene is 150.05 g/mol.
Where can I buy S-Allylthiobenzene?
You can request a quote for S-Allylthiobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Allylthiobenzene?
Yes, KEHONG BIO provides custom synthesis services for S-Allylthiobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.