![2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile structure](/static/products/2637/263762-01-2.webp)
2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile
TL;DR: 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile (CAS 263762-01-2) is a chemical compound with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetonitrile
Also Known As: Maybridge3_007239, IDI1_018626, 2-{[3-(trifluoromethyl)-2-pyridyl]thio}acetonitrile, 2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile, 2-((3-(Trifluoromethyl)pyridin-2-yl)thio)acetonitrile
| Molecular Formula | C8H5F3N2S |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 2.71608 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.01256 |
| Heavy Atoms | 14 |
| Complexity | 356.33942 |
Chemical Identifiers
| CAS Number | 263762-01-2 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC#N)C(F)(F)F |
Product Overview
2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile (CAS 263762-01-2), with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol. IUPAC: 2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetonitrile.
Chemical Property Profile of 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile
Property Insights of 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile
The XLogP value of 2.71608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile 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)pyridin-2-yl]sulfanylacetonitrile?
The CAS number of 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile is 263762-01-2.
What is the molecular formula of 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile?
The molecular formula of 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile is C8H5F3N2S.
What is the molecular weight of 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile?
The molecular weight of 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile is 218.01 g/mol.
Where can I buy 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile?
You can request a quote for 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile 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)pyridin-2-yl]sulfanylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Trifluoromethyl)pyridin-2-yl]sulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.