![[(2,5-Dimethylphenyl)sulfonyl]acetonitrile structure](/static/products/893/893724-52-2.png)
[(2,5-Dimethylphenyl)sulfonyl]acetonitrile
TL;DR: [(2,5-Dimethylphenyl)sulfonyl]acetonitrile (CAS 893724-52-2) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylphenyl)sulfonylacetonitrile
Also Known As: [(2,5-dimethylphenyl)sulfonyl]acetonitrile|2-(2,5-dimethylphenyl)sulfonylacetonitrile|2-(2,5-DIMETHYLBENZENESULFONYL)ACETONITRILE|(2,5-Dimethylphenyl)sulfonylacetonitrile|2-[(2,5-dimethylphenyl)sulfonyl]ethanenitrile|MFCD07364112|EN300-42444
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.60072 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 483.33374 |
Chemical Identifiers
| CAS Number | 893724-52-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)CC#N |
Product Overview
[(2,5-Dimethylphenyl)sulfonyl]acetonitrile (CAS 893724-52-2), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 2-(2,5-dimethylphenyl)sulfonylacetonitrile.
Chemical Property Profile of [(2,5-Dimethylphenyl)sulfonyl]acetonitrile
Property Insights of [(2,5-Dimethylphenyl)sulfonyl]acetonitrile
The XLogP value of 1.60072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2,5-Dimethylphenyl)sulfonyl]acetonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, [(2,5-Dimethylphenyl)sulfonyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2,5-Dimethylphenyl)sulfonyl]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 [(2,5-Dimethylphenyl)sulfonyl]acetonitrile?
The CAS number of [(2,5-Dimethylphenyl)sulfonyl]acetonitrile is 893724-52-2.
What is the molecular formula of [(2,5-Dimethylphenyl)sulfonyl]acetonitrile?
The molecular formula of [(2,5-Dimethylphenyl)sulfonyl]acetonitrile is C10H11NO2S.
What is the molecular weight of [(2,5-Dimethylphenyl)sulfonyl]acetonitrile?
The molecular weight of [(2,5-Dimethylphenyl)sulfonyl]acetonitrile is 209.05 g/mol.
Where can I buy [(2,5-Dimethylphenyl)sulfonyl]acetonitrile?
You can request a quote for [(2,5-Dimethylphenyl)sulfonyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,5-Dimethylphenyl)sulfonyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(2,5-Dimethylphenyl)sulfonyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.