![O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate structure](/static/products/5567/55676-34-1.webp)
O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate
TL;DR: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate (CAS 55676-34-1) is a chemical compound with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate
Also Known As: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate, O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamoth, O-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl] methylcarbamothioate, Carbamothioic acid, methyl-, O-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester, Carbamothioic acid, methyl-, O-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl] ester
| Molecular Formula | C8H12N4O3S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 0.62062 |
| Topological Polar Surface Area | 82.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.06302 |
| Heavy Atoms | 16 |
| Complexity | 403.98773 |
Chemical Identifiers
| CAS Number | 55676-34-1 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=S)NC)[N+](=O)[O-] |
Product Overview
O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate (CAS 55676-34-1), with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol. IUPAC: O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate.
Chemical Property Profile of O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate
Property Insights of O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate
The XLogP value of 0.62062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate. The TPSA of 82.22 Ų falls within the moderate polarity range, balancing permeability and solubility for O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate. Following Lipinski's Rule of Five, O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate 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 O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate?
The CAS number of O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate is 55676-34-1.
What is the molecular formula of O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate?
The molecular formula of O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate is C8H12N4O3S.
What is the molecular weight of O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate?
The molecular weight of O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate is 244.06 g/mol.
Where can I buy O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate?
You can request a quote for O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] N-methylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.