![5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile structure](/static/products/3387/338751-14-7.webp)
5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile
TL;DR: 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile (CAS 338751-14-7) is a chemical compound with molecular formula C13H10FN3S2 and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-fluoroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(4-fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile, 5-[2-(4-fluoroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile, 5-[2-(4-fluoroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile, 5-{2-[(4-FLUOROPHENYL)AMINO]ETHENYL}-3-(METHYLSULFANYL)-1,2-THIAZOLE-4-CARBONITRILE
| Molecular Formula | C13H10FN3S2 |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 3.95858 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.03003 |
| Heavy Atoms | 19 |
| Complexity | 626.3281 |
Chemical Identifiers
| CAS Number | 338751-14-7 |
|---|---|
| SMILES | CSC1=NSC(=C1C#N)C=CNC2=CC=C(C=C2)F |
Product Overview
5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile (CAS 338751-14-7), with molecular formula C13H10FN3S2 and molecular weight 291.03 g/mol. IUPAC: 5-[2-(4-fluoroanilino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile
Property Insights of 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile
The XLogP value of 3.95858 indicates that 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-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, 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-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 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile?
The CAS number of 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile is 338751-14-7.
What is the molecular formula of 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile?
The molecular formula of 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile is C13H10FN3S2.
What is the molecular weight of 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile?
The molecular weight of 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile is 291.03 g/mol.
Where can I buy 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile?
You can request a quote for 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-Fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.