3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile
TL;DR: 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile (CAS 338775-63-6) is a chemical compound with molecular formula C11H5ClF3N3S2 and molecular weight 334.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-ylthio]-4-cyano-5-methylisothiazole, 3-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-sulfanyl}-5-methyl-4-isothiazolecarbonitrile, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile, 3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}-4-cyano-5-methylisothiazole
| Molecular Formula | C11H5ClF3N3S2 |
|---|---|
| Molecular Weight | 334.96 g/mol |
| LogP | 4.5416 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.95654 |
| Heavy Atoms | 20 |
| Complexity | 691.1974 |
Chemical Identifiers
| CAS Number | 338775-63-6 |
|---|---|
| SMILES | CC1=C(C(=NS1)SC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile (CAS 338775-63-6), with molecular formula C11H5ClF3N3S2 and molecular weight 334.96 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile
Property Insights of 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile
The XLogP value of 4.5416 indicates that 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile?
The CAS number of 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile is 338775-63-6.
What is the molecular formula of 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile?
The molecular formula of 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile is C11H5ClF3N3S2.
What is the molecular weight of 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile?
The molecular weight of 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile is 334.96 g/mol.
Where can I buy 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile?
You can request a quote for 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-5-methylisothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.