3-Phenyl-2-phenylsulfanylpropanenitrile
TL;DR: 3-Phenyl-2-phenylsulfanylpropanenitrile (CAS 101330-03-4) is a chemical compound with molecular formula C15H13NS and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-phenylsulfanylpropanenitrile
Also Known As: 3-phenyl-2-(phenylthio)propanenitrile, A-(phenylthio)-2-phenylethyl cyanide, 3-phenyl-2-phenylsulfanylpropanenitrile, IDI1_007002, 3-phenyl-2-(phenylsulfanyl)propanenitrile
| Molecular Formula | C15H13NS |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 3.91358 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07687 |
| Heavy Atoms | 17 |
| Complexity | 445.8352 |
Chemical Identifiers
| CAS Number | 101330-03-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C#N)SC2=CC=CC=C2 |
Product Overview
3-Phenyl-2-phenylsulfanylpropanenitrile (CAS 101330-03-4), with molecular formula C15H13NS and molecular weight 239.08 g/mol. IUPAC: 3-phenyl-2-phenylsulfanylpropanenitrile.
Chemical Property Profile of 3-Phenyl-2-phenylsulfanylpropanenitrile
Property Insights of 3-Phenyl-2-phenylsulfanylpropanenitrile
The XLogP value of 3.91358 indicates that 3-Phenyl-2-phenylsulfanylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Phenyl-2-phenylsulfanylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2-phenylsulfanylpropanenitrile has 0 hydrogen bond donor(s) and 2 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 3-Phenyl-2-phenylsulfanylpropanenitrile?
The CAS number of 3-Phenyl-2-phenylsulfanylpropanenitrile is 101330-03-4.
What is the molecular formula of 3-Phenyl-2-phenylsulfanylpropanenitrile?
The molecular formula of 3-Phenyl-2-phenylsulfanylpropanenitrile is C15H13NS.
What is the molecular weight of 3-Phenyl-2-phenylsulfanylpropanenitrile?
The molecular weight of 3-Phenyl-2-phenylsulfanylpropanenitrile is 239.08 g/mol.
Where can I buy 3-Phenyl-2-phenylsulfanylpropanenitrile?
You can request a quote for 3-Phenyl-2-phenylsulfanylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-phenylsulfanylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-phenylsulfanylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.