![3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile structure](/static/products/3387/338751-25-0.webp)
3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile
TL;DR: 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile (CAS 338751-25-0) is a chemical compound with molecular formula C14H10F3N3S2 and molecular weight 341.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-[2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-thiazole-4-carbonitrile
Also Known As: 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile, 3-methylsulfanyl-5-[2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C14H10F3N3S2 |
|---|---|
| Molecular Weight | 341.03 g/mol |
| LogP | 4.83828 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.02682 |
| Heavy Atoms | 22 |
| Complexity | 729.6648 |
Chemical Identifiers
| CAS Number | 338751-25-0 |
|---|---|
| SMILES | CSC1=NSC(=C1C#N)C=CNC2=CC=CC(=C2)C(F)(F)F |
Product Overview
3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile (CAS 338751-25-0), with molecular formula C14H10F3N3S2 and molecular weight 341.03 g/mol. IUPAC: 3-methylsulfanyl-5-[2-[3-(trifluoromethyl)anilino]ethenyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile
Property Insights of 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile
The XLogP value of 4.83828 indicates that 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile has 1 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-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile?
The CAS number of 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile is 338751-25-0.
What is the molecular formula of 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile?
The molecular formula of 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile is C14H10F3N3S2.
What is the molecular weight of 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile?
The molecular weight of 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile is 341.03 g/mol.
Where can I buy 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile?
You can request a quote for 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylsulfanyl)-5-{2-[3-(trifluoromethyl)anilino]vinyl}-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.