![5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile structure](/static/products/3433/343372-91-8.webp)
5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
TL;DR: 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 343372-91-8) is a chemical compound with molecular formula C14H12N2OS2 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile, 5-methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile, 5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile, 5-methyl-3-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-isothiazole-4-carbonitrile
| Molecular Formula | C14H12N2OS2 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 3.60662 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0391 |
| Heavy Atoms | 19 |
| Complexity | 638.4559 |
Chemical Identifiers
| CAS Number | 343372-91-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NSC(=C2C#N)C |
Product Overview
5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 343372-91-8), with molecular formula C14H12N2OS2 and molecular weight 288.04 g/mol. IUPAC: 5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
Property Insights of 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
The XLogP value of 3.60662 indicates that 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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, 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
The CAS number of 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile is 343372-91-8.
What is the molecular formula of 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular formula of 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile is C14H12N2OS2.
What is the molecular weight of 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular weight of 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile is 288.04 g/mol.
Where can I buy 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
You can request a quote for 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.