![3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile structure](/static/products/3384/338412-98-9.webp)
3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile
TL;DR: 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile (CAS 338412-98-9) is a chemical compound with molecular formula C18H10ClF3N4S2 and molecular weight 438.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-anilinoethenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile, 5-(2-anilinoethenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1,2-thiazole-4-carbonitrile, 5-(2-Anilinoethenyl)-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1,2-thiazole-4-carbonitrile, 5-(2-anilinovinyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4-isothiazolecarbonitrile
| Molecular Formula | C18H10ClF3N4S2 |
|---|---|
| Molecular Weight | 438.00 g/mol |
| LogP | 6.31598 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.99875 |
| Heavy Atoms | 28 |
| Complexity | 1043.2196 |
Chemical Identifiers
| CAS Number | 338412-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=CC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N |
Product Overview
3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile (CAS 338412-98-9), with molecular formula C18H10ClF3N4S2 and molecular weight 438.00 g/mol. IUPAC: 5-(2-anilinoethenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile
Property Insights of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile
The XLogP value of 6.31598 indicates that 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile?
The CAS number of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile is 338412-98-9.
What is the molecular formula of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile?
The molecular formula of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile is C18H10ClF3N4S2.
What is the molecular weight of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile?
The molecular weight of 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile is 438.00 g/mol.
Where can I buy 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile?
You can request a quote for 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-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-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-5-[2-(phenylamino)ethenyl]-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.