2-Cyanoethyl phenyl sulfoxide
TL;DR: 2-Cyanoethyl phenyl sulfoxide (CAS 74338-75-3) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfinyl)propanenitrile
Also Known As: 2-Cyanoethyl phenyl sulfoxide, 3-(benzenesulfinyl)propanenitrile, 3-phenylsulfinylpropanitrile, 3-(phenylsulfinyl)propanenitrile, 2-cyanoethyl(phenyl) sulfoxide
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 1.70788 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 302.05463 |
Chemical Identifiers
| CAS Number | 74338-75-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)CCC#N |
Product Overview
2-Cyanoethyl phenyl sulfoxide (CAS 74338-75-3), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 3-(benzenesulfinyl)propanenitrile.
Chemical Property Profile of 2-Cyanoethyl phenyl sulfoxide
Property Insights of 2-Cyanoethyl phenyl sulfoxide
The XLogP value of 1.70788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethyl phenyl sulfoxide. With a topological polar surface area (TPSA) of 40.86 Ų, 2-Cyanoethyl phenyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanoethyl phenyl sulfoxide 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 2-Cyanoethyl phenyl sulfoxide?
The CAS number of 2-Cyanoethyl phenyl sulfoxide is 74338-75-3.
What is the molecular formula of 2-Cyanoethyl phenyl sulfoxide?
The molecular formula of 2-Cyanoethyl phenyl sulfoxide is C9H9NOS.
What is the molecular weight of 2-Cyanoethyl phenyl sulfoxide?
The molecular weight of 2-Cyanoethyl phenyl sulfoxide is 179.04 g/mol.
Where can I buy 2-Cyanoethyl phenyl sulfoxide?
You can request a quote for 2-Cyanoethyl phenyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl phenyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl phenyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.