![5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile structure](/static/products/3384/338402-77-0.webp)
5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
TL;DR: 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 338402-77-0) is a chemical compound with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-[2-(DIMETHYLAMINO)ETHENYL]-3-(METHYLSULFANYL)-1,2-THIAZOLE-4-CARBONITRILE, 5-[2-(dimethylamino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile, 5-(2-dimethylaminoethenyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile, 5-[2-(dimethylamino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile, 5-[2-(Dimethylamino)vinyl]-3-(methylsulfanyl) -4-isothiazolecarbonitrile
| Molecular Formula | C9H11N3S2 |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.03944 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 338402-77-0 |
|---|---|
| SMILES | CN(C)C=CC1=C(C(=NS1)SC)C#N |
| InChIKey | VAQNVGNVNAYIBX-UHFFFAOYSA-N |
Product Overview
5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 338402-77-0), with molecular formula C9H11N3S2 and molecular weight 225.04 g/mol. IUPAC: 5-[2-(dimethylamino)ethenyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Property Insights of 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile 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-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
The CAS number of 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile is 338402-77-0.
What is the molecular formula of 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular formula of 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile is C9H11N3S2.
What is the molecular weight of 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular weight of 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile is 225.04 g/mol.
Where can I buy 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
You can request a quote for 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-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 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(Dimethylamino)ethenyl]-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.