4-(Benzylthio)benzonitrile
TL;DR: 4-(Benzylthio)benzonitrile (CAS 150993-53-6) 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.
4-benzylsulfanylbenzonitrile
Also Known As: 4-(benzylthio)benzonitrile, 4-(benzylsulfanyl)benzonitrile, 4-benzylsulfanylbenzonitrile, 4-benzylthiobenzonitrile, 4-Benzylthio-benzonitrile
| Molecular Formula | C14H11NS |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 3.85058 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06122 |
| Heavy Atoms | 16 |
| Complexity | 482.39383 |
Chemical Identifiers
| CAS Number | 150993-53-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=C(C=C2)C#N |
Product Overview
4-(Benzylthio)benzonitrile (CAS 150993-53-6), with molecular formula C14H11NS and molecular weight 225.06 g/mol. IUPAC: 4-benzylsulfanylbenzonitrile.
Chemical Property Profile of 4-(Benzylthio)benzonitrile
Property Insights of 4-(Benzylthio)benzonitrile
The XLogP value of 3.85058 indicates that 4-(Benzylthio)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 4-(Benzylthio)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylthio)benzonitrile 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-(Benzylthio)benzonitrile?
The CAS number of 4-(Benzylthio)benzonitrile is 150993-53-6.
What is the molecular formula of 4-(Benzylthio)benzonitrile?
The molecular formula of 4-(Benzylthio)benzonitrile is C14H11NS.
What is the molecular weight of 4-(Benzylthio)benzonitrile?
The molecular weight of 4-(Benzylthio)benzonitrile is 225.06 g/mol.
Where can I buy 4-(Benzylthio)benzonitrile?
You can request a quote for 4-(Benzylthio)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylthio)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylthio)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.