4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-
TL;DR: 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)- (CAS 72436-95-4) is a chemical compound with molecular formula C7H5N3S3 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyanomethylsulfanyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-, 5-((Cyanomethyl)thio)-3-(methylthio)-4-isothiazolecarbonitrile, 5-(cyanomethylsulfanyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile, 5-[(CYANOMETHYL)SULFANYL]-3-(METHYLSULFANYL)-1,2-THIAZOLE-4-CARBONITRILE, BRN 5940947
| Molecular Formula | C7H5N3S3 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 2.35236 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.96455 |
| Heavy Atoms | 13 |
| Complexity | 371.31497 |
Chemical Identifiers
| CAS Number | 72436-95-4 |
|---|---|
| SMILES | CSC1=NSC(=C1C#N)SCC#N |
Product Overview
4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)- (CAS 72436-95-4), with molecular formula C7H5N3S3 and molecular weight 226.96 g/mol. IUPAC: 5-(cyanomethylsulfanyl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-
Property Insights of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-
The XLogP value of 2.35236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-. Following Lipinski's Rule of Five, 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)- has 0 hydrogen bond donor(s) and 6 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-((cyanomethyl)thio)-3-(methylthio)-?
The CAS number of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)- is 72436-95-4.
What is the molecular formula of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-?
The molecular formula of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)- is C7H5N3S3.
What is the molecular weight of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-?
The molecular weight of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)- is 226.96 g/mol.
Where can I buy 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-?
You can request a quote for 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-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-((cyanomethyl)thio)-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.