Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
TL;DR: Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 110592-13-7) is a chemical compound with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile
Also Known As: NIOSH/TZ4957100, Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-, 3-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)propanenitrile, Propanenitrile, 3-((2-methyl-5-nitro-1H-imidazol-4-yl)thio)-, 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile
| Molecular Formula | C7H8N4O2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.6321 |
| Topological Polar Surface Area | 95.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.0368 |
| Heavy Atoms | 14 |
| Complexity | 381.53177 |
Chemical Identifiers
| CAS Number | 110592-13-7 |
|---|---|
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SCCC#N |
Product Overview
Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 110592-13-7), with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol. IUPAC: 3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propanenitrile.
Chemical Property Profile of Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
Property Insights of Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
The XLogP value of 1.6321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. The TPSA of 95.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. Following Lipinski's Rule of Five, Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- 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 Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The CAS number of Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 110592-13-7.
What is the molecular formula of Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular formula of Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is C7H8N4O2S.
What is the molecular weight of Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular weight of Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 212.04 g/mol.
Where can I buy Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
You can request a quote for Propanenitrile, 3-((1-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 Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.