Phenyl propyl sulfide
TL;DR: Phenyl propyl sulfide (CAS 874-79-3) is a chemical compound with molecular formula C9H12S and molecular weight 152.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propylsulfanylbenzene
Also Known As: Phenyl propyl sulfide, Benzene, (propylthio)-, (Propylthio)benzene, propylsulfanylbenzene, Propyl phenyl sulfide
| Molecular Formula | C9H12S |
|---|---|
| Molecular Weight | 152.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.06598 |
| Heavy Atoms | 10 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 874-79-3 |
|---|---|
| SMILES | CCCSC1=CC=CC=C1 |
| InChIKey | NWYDLOBJQIJDGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl propyl sulfide (CAS 874-79-3), with molecular formula C9H12S and molecular weight 152.07 g/mol. IUPAC: propylsulfanylbenzene.
Chemical Property Profile of Phenyl propyl sulfide
Property Insights of Phenyl propyl sulfide
The XLogP value of 3.7 indicates that Phenyl propyl 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 propyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl propyl 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 propyl sulfide?
The CAS number of Phenyl propyl sulfide is 874-79-3.
What is the molecular formula of Phenyl propyl sulfide?
The molecular formula of Phenyl propyl sulfide is C9H12S.
What is the molecular weight of Phenyl propyl sulfide?
The molecular weight of Phenyl propyl sulfide is 152.07 g/mol.
Where can I buy Phenyl propyl sulfide?
You can request a quote for Phenyl propyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl propyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Phenyl propyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.