Imidazole, 5(4)-(methylthio)-4(5)-nitro-
TL;DR: Imidazole, 5(4)-(methylthio)-4(5)-nitro- (CAS 113121-55-4) is a chemical compound with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-5-nitro-1H-imidazole
Also Known As: S-methyl-4-nitro-5-thioimidazole, 1H-Imidazole, 5-(methylthio)-4-nitro-, 4-methylsulfanyl-5-nitro-1H-imidazole, Imidazole, 5(4)-(methylthio)-4(5)-nitro-
| Molecular Formula | C4H5N3O2S |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.01025 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 113121-55-4 |
|---|---|
| SMILES | CSC1=C(NC=N1)[N+](=O)[O-] |
| InChIKey | LIRFYGRDQORNCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole, 5(4)-(methylthio)-4(5)-nitro- (CAS 113121-55-4), with molecular formula C4H5N3O2S and molecular weight 159.01 g/mol. IUPAC: 4-methylsulfanyl-5-nitro-1H-imidazole.
Chemical Property Profile of Imidazole, 5(4)-(methylthio)-4(5)-nitro-
Property Insights of Imidazole, 5(4)-(methylthio)-4(5)-nitro-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 5(4)-(methylthio)-4(5)-nitro-. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 5(4)-(methylthio)-4(5)-nitro-. Following Lipinski's Rule of Five, Imidazole, 5(4)-(methylthio)-4(5)-nitro- has 1 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 Imidazole, 5(4)-(methylthio)-4(5)-nitro-?
The CAS number of Imidazole, 5(4)-(methylthio)-4(5)-nitro- is 113121-55-4.
What is the molecular formula of Imidazole, 5(4)-(methylthio)-4(5)-nitro-?
The molecular formula of Imidazole, 5(4)-(methylthio)-4(5)-nitro- is C4H5N3O2S.
What is the molecular weight of Imidazole, 5(4)-(methylthio)-4(5)-nitro-?
The molecular weight of Imidazole, 5(4)-(methylthio)-4(5)-nitro- is 159.01 g/mol.
Where can I buy Imidazole, 5(4)-(methylthio)-4(5)-nitro-?
You can request a quote for Imidazole, 5(4)-(methylthio)-4(5)-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 5(4)-(methylthio)-4(5)-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 5(4)-(methylthio)-4(5)-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.