![[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile structure](/static/products/110/110579-21-0.png)
[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile
TL;DR: [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile (CAS 110579-21-0) is a chemical compound with molecular formula C6H6N4O3S and molecular weight 214.02 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)sulfinylacetonitrile
Also Known As: BAS 02748313, 2-(3-methyl-5-nitroimidazol-4-yl)sulfinylacetonitrile, ({4-nitro-1-methyl-1H-imidazol-5-yl}sulfinyl)acetonitrile, (3-Methyl-5-nitro-3H-imidazole-4-sulfinyl)-acetonitrile, [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile
| Molecular Formula | C6H6N4O3S |
|---|---|
| Molecular Weight | 214.02 g/mol |
| LogP | -0.04052 |
| Topological Polar Surface Area | 101.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.01607 |
| Heavy Atoms | 14 |
| Complexity | 432.77527 |
Chemical Identifiers
| CAS Number | 110579-21-0 |
|---|---|
| SMILES | CN1C=NC(=C1S(=O)CC#N)[N+](=O)[O-] |
Product Overview
[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile (CAS 110579-21-0), with molecular formula C6H6N4O3S and molecular weight 214.02 g/mol. IUPAC: 2-(3-methyl-5-nitroimidazol-4-yl)sulfinylacetonitrile.
Chemical Property Profile of [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile
Property Insights of [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile
The XLogP value of -0.04052 indicates that [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.82 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile. Following Lipinski's Rule of Five, [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile has 0 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 [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile?
The CAS number of [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile is 110579-21-0.
What is the molecular formula of [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile?
The molecular formula of [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile is C6H6N4O3S.
What is the molecular weight of [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile?
The molecular weight of [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile is 214.02 g/mol.
Where can I buy [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile?
You can request a quote for [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(1-methyl-4-nitro-1H-imidazol-5-yl)sulfinyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.