Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-
TL;DR: Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- (CAS 135489-21-3) is a chemical compound with molecular formula C9H11N3OS3 and molecular weight 273.00644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-cyano-3-propylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide
Also Known As: Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-, 2-((4-Cyano-3-(propylthio)-5-isothiazolyl)thio)acetamide, 2-[(4-cyano-3-propylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide, 2-{[4-Cyano-3-(propylsulfanyl)-1,2-thiazol-5-yl]sulfanyl}acetamide, BRN 4258350
Technical Specifications
| Molecular Formula | C9H11N3OS3 |
| Molecular Weight | 273.00644 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.00644 Da |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
| SMILES | CCCSC1=NSC(=C1C#N)SCC(=O)N |
| InChIKey | VAZAYGPVOHMYOB-UHFFFAOYSA-N |
Chemical Property Profile of Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-
Property Insights of Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-. The TPSA of 159.0 Ų indicates high polarity, suggesting Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- has 1 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 Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-?
The CAS number of Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- is 135489-21-3.
What is the molecular formula of Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-?
The molecular formula of Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- is C9H11N3OS3.
What is the molecular weight of Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-?
The molecular weight of Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- is 273.00644 g/mol.
Where can I buy Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-?
You can request a quote for Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-?
Yes, CoreyChem provides custom synthesis services for Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.