2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile
TL;DR: 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile (CAS 175276-81-0) is a chemical compound with molecular formula C10H8F3NO2S and molecular weight 263.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetonitrile
Also Known As: 2-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile, 3-(Trifluoromethyl)benzylsulfonyl acetonitrile, 9146AA, 3-trifluoromethylbenzylsulfonylacetonitrile, 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetonitrile
| Molecular Formula | C10H8F3NO2S |
|---|---|
| Molecular Weight | 263.02 g/mol |
| LogP | 2.14378 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0228 |
| Heavy Atoms | 17 |
| Complexity | 543.40485 |
Chemical Identifiers
| CAS Number | 175276-81-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)CC#N |
Product Overview
2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile (CAS 175276-81-0), with molecular formula C10H8F3NO2S and molecular weight 263.02 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetonitrile.
Chemical Property Profile of 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile
Property Insights of 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile
The XLogP value of 2.14378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((3-(Trifluoromethyl)phenyl)methyl)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-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile?
The CAS number of 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile is 175276-81-0.
What is the molecular formula of 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile?
The molecular formula of 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile is C10H8F3NO2S.
What is the molecular weight of 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile?
The molecular weight of 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile is 263.02 g/mol.
Where can I buy 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile?
You can request a quote for 2-(((3-(Trifluoromethyl)phenyl)methyl)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-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.