1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-
TL;DR: 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro- (CAS 115906-51-9) is a chemical compound with molecular formula C7H9Cl2N3O2S and molecular weight 268.97925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,3-dichloropropylsulfanyl)-1-methyl-4-nitroimidazole
Also Known As: 5-((2,3-Dichloropropyl)thio)-1-methyl-4-nitro-1H-imidazole, 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-, 5-(2,3-dichloropropylsulfanyl)-1-methyl-4-nitroimidazole, 5-[(2,3-Dichloropropyl)sulfanyl]-1-methyl-4-nitro-1H-imidazole
Technical Specifications
| Molecular Formula | C7H9Cl2N3O2S |
| Molecular Weight | 268.97925 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.97925 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| SMILES | CN1C=NC(=C1SCC(CCl)Cl)[N+](=O)[O-] |
| InChIKey | KJRSJNGFKAWTLF-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-
Property Insights of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-?
The CAS number of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro- is 115906-51-9.
What is the molecular formula of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-?
The molecular formula of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro- is C7H9Cl2N3O2S.
What is the molecular weight of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-?
The molecular weight of 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro- is 268.97925 g/mol.
Where can I buy 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-?
You can request a quote for 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro-?
Yes, CoreyChem provides custom synthesis services for 1H-Imidazole, 5-((2,3-dichloropropyl)thio)-1-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.