![5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile structure](/static/products/3433/343372-92-9.webp)
5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
TL;DR: 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 343372-92-9) is a chemical compound with molecular formula C13H9N3O3S2 and molecular weight 319.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile, 5-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile, 5-methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile, 5-methyl-3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile, 3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5-methyl-isothiazole-4-carbonitrile
| Molecular Formula | C13H9N3O3S2 |
|---|---|
| Molecular Weight | 319.01 g/mol |
| LogP | 3.2064 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.00854 |
| Heavy Atoms | 21 |
| Complexity | 732.11005 |
Chemical Identifiers
| CAS Number | 343372-92-9 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile (CAS 343372-92-9), with molecular formula C13H9N3O3S2 and molecular weight 319.01 g/mol. IUPAC: 5-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
Property Insights of 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
The XLogP value of 3.2064 indicates that 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile has 0 hydrogen bond donor(s) and 7 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-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
The CAS number of 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile is 343372-92-9.
What is the molecular formula of 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular formula of 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile is C13H9N3O3S2.
What is the molecular weight of 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
The molecular weight of 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile is 319.01 g/mol.
Where can I buy 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
You can request a quote for 5-Methyl-3-{[2-(4-nitrophenyl)-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-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.