Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-
TL;DR: Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)- (CAS 57235-18-4) is a chemical compound with molecular formula C9H9N5O2S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]pyrimidine
Also Known As: Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-, 5-23-11-00112 (Beilstein Handbook Reference), 2-((1-Methyl-5-nitro-2-imidazolylmethyl)thio)pyrimidine, 2-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]pyrimidine, 2-{[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]sulfanyl}pyrimidine
| Molecular Formula | C9H9N5O2S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 1.4106 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.0477 |
| Heavy Atoms | 17 |
| Complexity | 527.43744 |
Chemical Identifiers
| CAS Number | 57235-18-4 |
|---|---|
| SMILES | CN1C(=CN=C1CSC2=NC=CC=N2)[N+](=O)[O-] |
Product Overview
Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)- (CAS 57235-18-4), with molecular formula C9H9N5O2S and molecular weight 251.05 g/mol. IUPAC: 2-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]pyrimidine.
Chemical Property Profile of Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-
Property Insights of Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-
The XLogP value of 1.4106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-. Following Lipinski's Rule of Five, Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)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-5-nitro-2-imidazolylmethyl)thio)-?
The CAS number of Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)- is 57235-18-4.
What is the molecular formula of Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-?
The molecular formula of Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)- is C9H9N5O2S.
What is the molecular weight of Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-?
The molecular weight of Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)- is 251.05 g/mol.
Where can I buy Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-?
You can request a quote for Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)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-5-nitro-2-imidazolylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.