4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-
TL;DR: 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)- (CAS 135489-11-1) is a chemical compound with molecular formula C9H9N3S3 and molecular weight 254.99586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(cyanomethylsulfanyl)-5-propylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-, 3-((Cyanomethyl)thio)-5-(propylthio)-4-isothiazolecarbonitrile, 4-ISOTHIAZOLECARBONITRILE,3-[(CYANOMETHYL)THIO]-5-(PROPYLTHIO)-, 3-(cyanomethylsulfanyl)-5-propylsulfanyl-1,2-thiazole-4-carbonitrile, 3-[(CYANOMETHYL)SULFANYL]-5-(PROPYLSULFANYL)-1,2-THIAZOLE-4-CARBONITRILE
Technical Specifications
| Molecular Formula | C9H9N3S3 |
| Molecular Weight | 254.99586 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.99586 Da |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
| SMILES | CCCSC1=C(C(=NS1)SCC#N)C#N |
| InChIKey | PALCYAFNXXYZPC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-
Property Insights of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-
The XLogP value of 3.1 indicates that 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-. Following Lipinski's Rule of Five, 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(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
What is the CAS number of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-?
The CAS number of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)- is 135489-11-1.
What is the molecular formula of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-?
The molecular formula of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)- is C9H9N3S3.
What is the molecular weight of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-?
The molecular weight of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)- is 254.99586 g/mol.
Where can I buy 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-?
You can request a quote for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-?
Yes, CoreyChem provides custom synthesis services for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.