4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-
TL;DR: 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- (CAS 25882-58-0) is a chemical compound with molecular formula C7H8N2S3 and molecular weight 215.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfanyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 5-3-4-isothiazolecarbonitrile, 5- -3- -4-isothiazolecarbonitrile, 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-, 5-(Ethylthio)-3-(methylthio)-4-isothiazolecarbonitrile, 5-ethylsulfanyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
| Molecular Formula | C7H8N2S3 |
|---|---|
| Molecular Weight | 215.98 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.98495 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 25882-58-0 |
|---|---|
| SMILES | CCSC1=C(C(=NS1)SC)C#N |
| InChIKey | LXUFGBXJPNBLKG-UHFFFAOYSA-N |
Product Overview
4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- (CAS 25882-58-0), with molecular formula C7H8N2S3 and molecular weight 215.98 g/mol. IUPAC: 5-ethylsulfanyl-3-methylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-
Property Insights of 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-. Following Lipinski's Rule of Five, 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- 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 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-?
The CAS number of 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- is 25882-58-0.
What is the molecular formula of 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-?
The molecular formula of 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- is C7H8N2S3.
What is the molecular weight of 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-?
The molecular weight of 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- is 215.98 g/mol.
Where can I buy 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-?
You can request a quote for 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarbonitrile, 5-(ethylthio)-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.