![Acetonitrile, [(trifluoromethyl)sulfonyl]- structure](/static/products/7598/75988-01-1.webp)
Acetonitrile, [(trifluoromethyl)sulfonyl]-
TL;DR: Acetonitrile, [(trifluoromethyl)sulfonyl]- (CAS 75988-01-1) is a chemical compound with molecular formula C3H2F3NO2S and molecular weight 172.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethylsulfonyl)acetonitrile
Also Known As: 2-triflylacetonitrile, Acetonitrile, [(trifluoromethyl)sulfonyl]-, 2-(trifluoromethylsulfonyl)acetonitrile, 3-(Trifluoromethylsulfonyl)acetonitrile, (Trifluoromethanesulfonyl)acetonitrile
| Molecular Formula | C3H2F3NO2S |
|---|---|
| Molecular Weight | 172.98 g/mol |
| LogP | 0.44458 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.97583 |
| Heavy Atoms | 10 |
| Complexity | 245.90182 |
Chemical Identifiers
| CAS Number | 75988-01-1 |
|---|---|
| SMILES | C(C#N)S(=O)(=O)C(F)(F)F |
Product Overview
Acetonitrile, [(trifluoromethyl)sulfonyl]- (CAS 75988-01-1), with molecular formula C3H2F3NO2S and molecular weight 172.98 g/mol. IUPAC: 2-(trifluoromethylsulfonyl)acetonitrile.
Chemical Property Profile of Acetonitrile, [(trifluoromethyl)sulfonyl]-
Property Insights of Acetonitrile, [(trifluoromethyl)sulfonyl]-
The XLogP value of 0.44458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, [(trifluoromethyl)sulfonyl]-. With a topological polar surface area (TPSA) of 57.93 Ų, Acetonitrile, [(trifluoromethyl)sulfonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, [(trifluoromethyl)sulfonyl]- 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 Acetonitrile, [(trifluoromethyl)sulfonyl]-?
The CAS number of Acetonitrile, [(trifluoromethyl)sulfonyl]- is 75988-01-1.
What is the molecular formula of Acetonitrile, [(trifluoromethyl)sulfonyl]-?
The molecular formula of Acetonitrile, [(trifluoromethyl)sulfonyl]- is C3H2F3NO2S.
What is the molecular weight of Acetonitrile, [(trifluoromethyl)sulfonyl]-?
The molecular weight of Acetonitrile, [(trifluoromethyl)sulfonyl]- is 172.98 g/mol.
Where can I buy Acetonitrile, [(trifluoromethyl)sulfonyl]-?
You can request a quote for Acetonitrile, [(trifluoromethyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, [(trifluoromethyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, [(trifluoromethyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.