![ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate structure](/static/products/3696/369605-91-4.webp)
ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate (CAS 369605-91-4) is a chemical compound with molecular formula C8H11N3O4S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate
Also Known As: BAS 00322785, ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate, ethyl 2-(2-methyl-4-nitroimidazol-5-ylthio)acetate, ethyl 2-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetate, Ethyl [(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetate
| Molecular Formula | C8H11N3O4S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.04703 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 369605-91-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(NC(=N1)C)[N+](=O)[O-] |
| InChIKey | JAKRSOSIUMRBPL-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate (CAS 369605-91-4), with molecular formula C8H11N3O4S and molecular weight 245.05 g/mol. IUPAC: ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 6 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 ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate is 369605-91-4.
What is the molecular formula of ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate is C8H11N3O4S.
What is the molecular weight of ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate is 245.05 g/mol.
Where can I buy ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.