Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
TL;DR: Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 75464-89-0) is a chemical compound with molecular formula C8H7N5O2S and molecular weight 237.03 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)sulfanylpyrimidine
Also Known As: Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-, 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimidine, pyrimidine, 2-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]-, 2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)pyrimidine, 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpyrimidine
| Molecular Formula | C8H7N5O2S |
|---|---|
| Molecular Weight | 237.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.03204 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 75464-89-0 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=NC=CC=N2)[N+](=O)[O-] |
| InChIKey | LWMMNQZYZIXZCW-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- (CAS 75464-89-0), with molecular formula C8H7N5O2S and molecular weight 237.03 g/mol. IUPAC: 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimidine.
Chemical Property Profile of Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
Property Insights of Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-. Following Lipinski's Rule of Five, Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- has 0 hydrogen bond donor(s) and 6 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 Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The CAS number of Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 75464-89-0.
What is the molecular formula of Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular formula of Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is C8H7N5O2S.
What is the molecular weight of Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
The molecular weight of Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- is 237.03 g/mol.
Where can I buy Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
You can request a quote for Pyrimidine, 2((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 Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.