4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-
TL;DR: 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- (CAS 135518-36-4) is a chemical compound with molecular formula C9H9N3S3 and molecular weight 255.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyanomethylsulfanyl)-3-propylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-, 5-((Cyanomethyl)thio)-3-(propylthio)-4-isothiazolecarbonitrile, 5-(cyanomethylsulfanyl)-3-propylsulfanyl-1,2-thiazole-4-carbonitrile, 5-[(Cyanomethyl)sulfanyl]-3-(propylsulfanyl)-1,2-thiazole-4-carbonitrile, BRN 4253758
| Molecular Formula | C9H9N3S3 |
|---|---|
| Molecular Weight | 255.00 g/mol |
| LogP | 3.13256 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.99586 |
| Heavy Atoms | 15 |
| Complexity | 399.71555 |
Chemical Identifiers
| CAS Number | 135518-36-4 |
|---|---|
| SMILES | CCCSC1=NSC(=C1C#N)SCC#N |
Product Overview
4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- (CAS 135518-36-4), with molecular formula C9H9N3S3 and molecular weight 255.00 g/mol. IUPAC: 5-(cyanomethylsulfanyl)-3-propylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-
Property Insights of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-
The XLogP value of 3.13256 indicates that 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-. Following Lipinski's Rule of Five, 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- 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-(propylthio)-?
The CAS number of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- is 135518-36-4.
What is the molecular formula of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-?
The molecular formula of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- is C9H9N3S3.
What is the molecular weight of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-?
The molecular weight of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- is 255.00 g/mol.
Where can I buy 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-?
You can request a quote for 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- 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-(propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.