3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile
TL;DR: 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 728037-90-9) is a chemical compound with molecular formula C8H10N2OS2 and molecular weight 214.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-5-ethylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile, 3-ethoxy-5-ethylthioisothiazole-4-carbonitrile, 4-isothiazolecarbonitrile,3-ethoxy-5-(ethylthio)-, 4-Isothiazolecarbonitrile,3-ethoxy-5-(ethylthio)-(9CI), 3-ethoxy-5-ethylsulfanyl-1,2-thiazole-4-carbonitrile
| Molecular Formula | C8H10N2OS2 |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | 2.52548 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.02345 |
| Heavy Atoms | 13 |
| Complexity | 292.9342 |
Chemical Identifiers
| CAS Number | 728037-90-9 |
|---|---|
| SMILES | CCOC1=NSC(=C1C#N)SCC |
Product Overview
3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 728037-90-9), with molecular formula C8H10N2OS2 and molecular weight 214.02 g/mol. IUPAC: 3-ethoxy-5-ethylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile
Property Insights of 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile
The XLogP value of 2.52548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile. With a topological polar surface area (TPSA) of 45.91 Ų, 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-5-(ethylsulfanyl)-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 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
The CAS number of 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile is 728037-90-9.
What is the molecular formula of 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular formula of 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile is C8H10N2OS2.
What is the molecular weight of 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular weight of 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile is 214.02 g/mol.
Where can I buy 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
You can request a quote for 3-Ethoxy-5-(ethylsulfanyl)-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-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-5-(ethylsulfanyl)-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.