Phenyl(phenylthio)acetonitrile
TL;DR: Phenyl(phenylthio)acetonitrile (CAS 32121-59-8) is a chemical compound with molecular formula C14H11NS and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-phenylsulfanylacetonitrile
Also Known As: Phenyl(phenylthio)acetonitrile, Maybridge3_004391, 2-phenyl-2-(phenylthio)acetonitrile, 2-phenyl-2-phenylsulfanylacetonitrile, 2-Phenyl-2-phenylthioacetonitrile
| Molecular Formula | C14H11NS |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06122 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 32121-59-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)SC2=CC=CC=C2 |
| InChIKey | LHZILUWPIODFGI-UHFFFAOYSA-N |
Product Overview
Phenyl(phenylthio)acetonitrile (CAS 32121-59-8), with molecular formula C14H11NS and molecular weight 225.06 g/mol. IUPAC: 2-phenyl-2-phenylsulfanylacetonitrile.
Chemical Property Profile of Phenyl(phenylthio)acetonitrile
Property Insights of Phenyl(phenylthio)acetonitrile
The XLogP value of 3.9 indicates that Phenyl(phenylthio)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, Phenyl(phenylthio)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(phenylthio)acetonitrile 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 Phenyl(phenylthio)acetonitrile?
The CAS number of Phenyl(phenylthio)acetonitrile is 32121-59-8.
What is the molecular formula of Phenyl(phenylthio)acetonitrile?
The molecular formula of Phenyl(phenylthio)acetonitrile is C14H11NS.
What is the molecular weight of Phenyl(phenylthio)acetonitrile?
The molecular weight of Phenyl(phenylthio)acetonitrile is 225.06 g/mol.
Where can I buy Phenyl(phenylthio)acetonitrile?
You can request a quote for Phenyl(phenylthio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(phenylthio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(phenylthio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.