![5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile structure](/static/products/3384/338418-03-4.webp)
5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile
TL;DR: 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile (CAS 338418-03-4) is a chemical compound with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-phenacylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 4E-040, 5-methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile, 5-methyl-3-phenacylsulfanyl-1,2-thiazole-4-carbonitrile, 5-methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-1,2-thiazole-4-carbonitrile, 5-methyl-3-phenacylsulfanyl-isothiazole-4-carbonitrile
| Molecular Formula | C13H10N2OS2 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.2982 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.02347 |
| Heavy Atoms | 18 |
| Complexity | 599.199 |
Chemical Identifiers
| CAS Number | 338418-03-4 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC(=O)C2=CC=CC=C2)C#N |
Product Overview
5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile (CAS 338418-03-4), with molecular formula C13H10N2OS2 and molecular weight 274.02 g/mol. IUPAC: 5-methyl-3-phenacylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile
Property Insights of 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile
The XLogP value of 3.2982 indicates that 5-Methyl-3-[(2-oxo-2-phenylethyl)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-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-[(2-oxo-2-phenylethyl)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-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile?
The CAS number of 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile is 338418-03-4.
What is the molecular formula of 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile?
The molecular formula of 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile is C13H10N2OS2.
What is the molecular weight of 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile?
The molecular weight of 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile is 274.02 g/mol.
Where can I buy 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile?
You can request a quote for 5-Methyl-3-[(2-oxo-2-phenylethyl)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-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-[(2-oxo-2-phenylethyl)sulfanyl]-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.