Phenyl propenyl sulfide
TL;DR: Phenyl propenyl sulfide (CAS 22103-05-5) 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-1-enylsulfanylbenzene
Also Known As: phenyl propenyl sulfide, prop-1-enylsulfanylbenzene, Benzene,(1-propen-1-ylthio)-, [(E)-prop-1-enyl]sulfanylbenzene
| Molecular Formula | C9H10S |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.05032 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 22103-05-5 |
|---|---|
| SMILES | CC=CSC1=CC=CC=C1 |
| InChIKey | QAKDINZUNLASCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl propenyl sulfide (CAS 22103-05-5), with molecular formula C9H10S and molecular weight 150.05 g/mol. IUPAC: prop-1-enylsulfanylbenzene.
Chemical Property Profile of Phenyl propenyl sulfide
Property Insights of Phenyl propenyl sulfide
The XLogP value of 3.2 indicates that Phenyl propenyl 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, Phenyl propenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl propenyl 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 Phenyl propenyl sulfide?
The CAS number of Phenyl propenyl sulfide is 22103-05-5.
What is the molecular formula of Phenyl propenyl sulfide?
The molecular formula of Phenyl propenyl sulfide is C9H10S.
What is the molecular weight of Phenyl propenyl sulfide?
The molecular weight of Phenyl propenyl sulfide is 150.05 g/mol.
Where can I buy Phenyl propenyl sulfide?
You can request a quote for Phenyl propenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl propenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Phenyl propenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.