2-(4-(Methylsulfonyl)phenyl)acetonitrile
TL;DR: 2-(4-(Methylsulfonyl)phenyl)acetonitrile (CAS 25025-07-4) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfonylphenyl)acetonitrile
Also Known As: 4-(Methylsulfonyl) phenylacetonitrile, 2-(4-methylsulfonylphenyl)acetonitrile, 2-(4-(Methylsulfonyl)phenyl)acetonitrile, Etoricoxib Impurity 101, Benzeneacetonitrile, 4-(methylsulfonyl)-
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.15618 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 425.67767 |
Chemical Identifiers
| CAS Number | 25025-07-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)CC#N |
Product Overview
2-(4-(Methylsulfonyl)phenyl)acetonitrile (CAS 25025-07-4), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 2-(4-methylsulfonylphenyl)acetonitrile.
Chemical Property Profile of 2-(4-(Methylsulfonyl)phenyl)acetonitrile
Property Insights of 2-(4-(Methylsulfonyl)phenyl)acetonitrile
The XLogP value of 1.15618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(Methylsulfonyl)phenyl)acetonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-(4-(Methylsulfonyl)phenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(Methylsulfonyl)phenyl)acetonitrile has 0 hydrogen bond donor(s) and 3 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-(4-(Methylsulfonyl)phenyl)acetonitrile?
The CAS number of 2-(4-(Methylsulfonyl)phenyl)acetonitrile is 25025-07-4.
What is the molecular formula of 2-(4-(Methylsulfonyl)phenyl)acetonitrile?
The molecular formula of 2-(4-(Methylsulfonyl)phenyl)acetonitrile is C9H9NO2S.
What is the molecular weight of 2-(4-(Methylsulfonyl)phenyl)acetonitrile?
The molecular weight of 2-(4-(Methylsulfonyl)phenyl)acetonitrile is 195.04 g/mol.
Where can I buy 2-(4-(Methylsulfonyl)phenyl)acetonitrile?
You can request a quote for 2-(4-(Methylsulfonyl)phenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(Methylsulfonyl)phenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Methylsulfonyl)phenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.