Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
TL;DR: Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 110579-01-6) is a chemical compound with molecular formula C6H6N4O2S and molecular weight 198.02115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile
Also Known As: 2-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile, 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile, Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-, ((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile, Acetonitrile,2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
Technical Specifications
| Molecular Formula | C6H6N4O2S |
| Molecular Weight | 198.02115 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.02115 Da |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
| SMILES | CN1C=NC(=C1SCC#N)[N+](=O)[O-] |
| InChIKey | QXEAKCLPSIRBIW-UHFFFAOYSA-N |
Chemical Property Profile of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
Property Insights of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. Following Lipinski's Rule of Five, Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- 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
What is the CAS number of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The CAS number of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 110579-01-6.
What is the molecular formula of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular formula of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is C6H6N4O2S.
What is the molecular weight of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular weight of Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 198.02115 g/mol.
Where can I buy Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
You can request a quote for Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
Yes, CoreyChem provides custom synthesis services for Acetonitrile, ((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.