2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate
TL;DR: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate (CAS 64757-26-2) is a chemical compound with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl thiocyanate
Also Known As: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl thiocyanate, 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl thiocyanate
| Molecular Formula | C7H8N4O2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.0368 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 64757-26-2 |
|---|---|
| SMILES | CC1=NC=C(N1CCSC#N)[N+](=O)[O-] |
| InChIKey | OABNLNRMSBBTKQ-UHFFFAOYSA-N |
Product Overview
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate (CAS 64757-26-2), with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl thiocyanate.
Chemical Property Profile of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate
Property Insights of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate. Following Lipinski's Rule of Five, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate 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
Frequently Asked Questions
What is the CAS number of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate?
The CAS number of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate is 64757-26-2.
What is the molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate?
The molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate is C7H8N4O2S.
What is the molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate?
The molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate is 212.04 g/mol.
Where can I buy 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate?
You can request a quote for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.