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Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
TL;DR: Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- (CAS 110765-07-6) is a chemical compound with molecular formula C6H8N4O3S and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetamide
Also Known As: (2-Methyl-4-nitroimidazol-5-thio)acetamide, Acetamide, 2-((2-methyl-4-nitro-1H-imidazol-5-yl)thio)-, BAS 00322772, Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-, 2-((2-Methyl-4-nitro-1H-imidazol-5-yl)thio)acetamide
| Molecular Formula | C6H8N4O3S |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.03171 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 110765-07-6 |
|---|---|
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)N |
| InChIKey | JSWQHEXCIKNKBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- (CAS 110765-07-6), with molecular formula C6H8N4O3S and molecular weight 216.03 g/mol. IUPAC: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]acetamide.
Chemical Property Profile of Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
Property Insights of Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-. The TPSA of 143.0 Ų indicates high polarity, suggesting Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- has 2 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 Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
The CAS number of Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- is 110765-07-6.
What is the molecular formula of Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
The molecular formula of Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- is C6H8N4O3S.
What is the molecular weight of Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
The molecular weight of Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- is 216.03 g/mol.
Where can I buy Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
You can request a quote for Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-[(2-methyl-4-nitro-1H-imidazol-5-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.