![1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole structure](/static/products/2879/28795-33-7.webp)
1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole
TL;DR: 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole (CAS 28795-33-7) is a chemical compound with molecular formula C8H13N3O2S and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethylsulfanylethyl)-2-methyl-5-nitroimidazole
Also Known As: Tinidazole Impurity 3, 1-(2-(Ethylthio)ethyl)-2-methyl-5-nitro-1H-imidazole, Poly-S-carbobenzoxycysteine, Poly-S-carbobenzoxy-L-cysteine, 1-[2-(ethylthio)ethyl]-2-methyl-5-nitro-1h-imidazole
| Molecular Formula | C8H13N3O2S |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.07285 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 28795-33-7 |
|---|---|
| SMILES | CCSCCN1C(=NC=C1[N+](=O)[O-])C |
| InChIKey | MFRJPLQSIRTHSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole (CAS 28795-33-7), with molecular formula C8H13N3O2S and molecular weight 215.07 g/mol. IUPAC: 1-(2-ethylsulfanylethyl)-2-methyl-5-nitroimidazole.
Chemical Property Profile of 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole
Property Insights of 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole 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 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole?
The CAS number of 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole is 28795-33-7.
What is the molecular formula of 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole?
The molecular formula of 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole is C8H13N3O2S.
What is the molecular weight of 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole?
The molecular weight of 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole is 215.07 g/mol.
Where can I buy 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole?
You can request a quote for 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Ethylthio)ethyl]-2-methyl-5-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.