1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-
TL;DR: 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro- (CAS 110579-12-9) is a chemical compound with molecular formula C6H8ClN3O2S and molecular weight 221.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroethylsulfanyl)-1-methyl-4-nitroimidazole
Also Known As: 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-, 5-((2-Chloroethyl)thio)-1-methyl-4-nitro-1H-imidazole, 5-(2-chloroethylsulfanyl)-1-methyl-4-nitroimidazole, BAS 00322777, 5-(2-chloroethylthio)-1-methyl-4-nitroimidazole
| Molecular Formula | C6H8ClN3O2S |
|---|---|
| Molecular Weight | 221.00 g/mol |
| LogP | 1.6592 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.00258 |
| Heavy Atoms | 13 |
| Complexity | 314.82806 |
Chemical Identifiers
| CAS Number | 110579-12-9 |
|---|---|
| SMILES | CN1C=NC(=C1SCCCl)[N+](=O)[O-] |
Product Overview
1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro- (CAS 110579-12-9), with molecular formula C6H8ClN3O2S and molecular weight 221.00 g/mol. IUPAC: 5-(2-chloroethylsulfanyl)-1-methyl-4-nitroimidazole.
Chemical Property Profile of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-
Property Insights of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-
The XLogP value of 1.6592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole, 5-((2-chloroethyl)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
Frequently Asked Questions
What is the CAS number of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-?
The CAS number of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro- is 110579-12-9.
What is the molecular formula of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-?
The molecular formula of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro- is C6H8ClN3O2S.
What is the molecular weight of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-?
The molecular weight of 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro- is 221.00 g/mol.
Where can I buy 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-?
You can request a quote for 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 5-((2-chloroethyl)thio)-1-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.