2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol
TL;DR: 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol (CAS 13755-90-3) is a chemical compound with molecular formula C6H9N3O3S and molecular weight 203.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-5-nitroimidazol-4-yl)sulfanylethanol
Also Known As: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylethanol, 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylethanol, 2-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)ethanol, 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]ethanol
| Molecular Formula | C6H9N3O3S |
|---|---|
| Molecular Weight | 203.04 g/mol |
| LogP | 0.4127 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.03647 |
| Heavy Atoms | 13 |
| Complexity | 312.07315 |
Chemical Identifiers
| CAS Number | 13755-90-3 |
|---|---|
| SMILES | CN1C=NC(=C1SCCO)[N+](=O)[O-] |
Product Overview
2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol (CAS 13755-90-3), with molecular formula C6H9N3O3S and molecular weight 203.04 g/mol. IUPAC: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylethanol.
Chemical Property Profile of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol
Property Insights of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol
The XLogP value of 0.4127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol. Following Lipinski's Rule of Five, 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol 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
Frequently Asked Questions
What is the CAS number of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol?
The CAS number of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol is 13755-90-3.
What is the molecular formula of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol?
The molecular formula of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol is C6H9N3O3S.
What is the molecular weight of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol?
The molecular weight of 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol is 203.04 g/mol.
Where can I buy 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol?
You can request a quote for 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.