![[4-(Phenylsulfanyl)phenyl]acetonitrile structure](/static/products/7008/7008-54-0.webp)
[4-(Phenylsulfanyl)phenyl]acetonitrile
TL;DR: [4-(Phenylsulfanyl)phenyl]acetonitrile (CAS 7008-54-0) 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-(4-phenylsulfanylphenyl)acetonitrile
Also Known As: 4-phenylthiobenzyl cyanide, [4-(phenylsulfanyl)phenyl]acetonitrile, 2-(4-phenylsulfanylphenyl)acetonitrile, 4-phenylthiophenylacetonitrile, 1-cyanomethyl-4-phenylthiobenzene
| Molecular Formula | C14H11NS |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 3.6 |
| 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 | 241.0 |
Chemical Identifiers
| CAS Number | 7008-54-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)CC#N |
| InChIKey | PYKKCPQFYNZYOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[4-(Phenylsulfanyl)phenyl]acetonitrile (CAS 7008-54-0), with molecular formula C14H11NS and molecular weight 225.06 g/mol. IUPAC: 2-(4-phenylsulfanylphenyl)acetonitrile.
Chemical Property Profile of [4-(Phenylsulfanyl)phenyl]acetonitrile
Property Insights of [4-(Phenylsulfanyl)phenyl]acetonitrile
The XLogP value of 3.6 indicates that [4-(Phenylsulfanyl)phenyl]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, [4-(Phenylsulfanyl)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(Phenylsulfanyl)phenyl]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 [4-(Phenylsulfanyl)phenyl]acetonitrile?
The CAS number of [4-(Phenylsulfanyl)phenyl]acetonitrile is 7008-54-0.
What is the molecular formula of [4-(Phenylsulfanyl)phenyl]acetonitrile?
The molecular formula of [4-(Phenylsulfanyl)phenyl]acetonitrile is C14H11NS.
What is the molecular weight of [4-(Phenylsulfanyl)phenyl]acetonitrile?
The molecular weight of [4-(Phenylsulfanyl)phenyl]acetonitrile is 225.06 g/mol.
Where can I buy [4-(Phenylsulfanyl)phenyl]acetonitrile?
You can request a quote for [4-(Phenylsulfanyl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Phenylsulfanyl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [4-(Phenylsulfanyl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.