![3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile structure](/static/products/3384/338417-45-1.webp)
3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile
TL;DR: 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338417-45-1) is a chemical compound with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-anilinoethenyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-(2-anilinovinyl)-3-(methylsulfanyl)-4-isothiazolecarbonitrile, 3-(METHYLSULFANYL)-5-[2-(PHENYLAMINO)ETHENYL]-1,2-THIAZOLE-4-CARBONITRILE, 5-(2-anilinoethenyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
| Molecular Formula | C13H11N3S2 |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 3.81948 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.03943 |
| Heavy Atoms | 18 |
| Complexity | 582.029 |
Chemical Identifiers
| CAS Number | 338417-45-1 |
|---|---|
| SMILES | CSC1=NSC(=C1C#N)C=CNC2=CC=CC=C2 |
Product Overview
3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338417-45-1), with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol. IUPAC: 5-(2-anilinoethenyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile
Property Insights of 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile
The XLogP value of 3.81948 indicates that 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile 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 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile?
The CAS number of 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile is 338417-45-1.
What is the molecular formula of 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile?
The molecular formula of 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile is C13H11N3S2.
What is the molecular weight of 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile?
The molecular weight of 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile is 273.04 g/mol.
Where can I buy 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile?
You can request a quote for 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfanyl)-5-[2-(phenylamino)ethenyl]-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.