Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
TL;DR: Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- (CAS 110579-00-5) 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-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
Also Known As: Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-, 2-((2-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile, ((2-Methyl-5-nitro-1H-imidazol-4-yl)thio)acetonitrile, BAS 00288649, 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetonitrile
Technical Specifications
| Molecular Formula | C6H6N4O2S |
| Molecular Weight | 198.02115 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.02115 Da |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SCC#N |
| InChIKey | VZSGONQDUWUESD-UHFFFAOYSA-N |
Chemical Property Profile of Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
Property Insights of Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-. Following Lipinski's Rule of Five, Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- has 1 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, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
The CAS number of Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- is 110579-00-5.
What is the molecular formula of Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
The molecular formula of Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- is C6H6N4O2S.
What is the molecular weight of Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
The molecular weight of Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- is 198.02115 g/mol.
Where can I buy Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
You can request a quote for Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-?
Yes, CoreyChem provides custom synthesis services for Acetonitrile, ((2-methyl-5-nitro-1H-imidazol-4-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.