![3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile structure](/static/products/3390/339017-14-0.webp)
3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile
TL;DR: 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile (CAS 339017-14-0) is a chemical compound with molecular formula C13H9FN2OS2 and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile, 3-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-1,2-thiazole-4-carbonitrile, 3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile, 3-([2-(4-FLUOROPHENYL)-2-OXOETHYL]SULFANYL)-5-METHYL-4-ISOTHIAZOLECARBONITRILE, 3-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-isothiazole-4-carbonitrile
| Molecular Formula | C13H9FN2OS2 |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 3.4373 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.01404 |
| Heavy Atoms | 19 |
| Complexity | 643.6531 |
Chemical Identifiers
| CAS Number | 339017-14-0 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)F)C#N |
Product Overview
3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile (CAS 339017-14-0), with molecular formula C13H9FN2OS2 and molecular weight 292.01 g/mol. IUPAC: 3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile
Property Insights of 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile
The XLogP value of 3.4373 indicates that 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile 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-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile?
The CAS number of 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile is 339017-14-0.
What is the molecular formula of 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile?
The molecular formula of 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile is C13H9FN2OS2.
What is the molecular weight of 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile?
The molecular weight of 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile is 292.01 g/mol.
Where can I buy 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile?
You can request a quote for 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-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-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.