2-(Methylthio)-5-nitropyrimidine
TL;DR: 2-(Methylthio)-5-nitropyrimidine (CAS 14001-70-8) is a chemical compound with molecular formula C5H5N3O2S and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-5-nitropyrimidine
Also Known As: 2-(methylthio)-5-nitropyrimidine, 2-methylsulfanyl-5-nitropyrimidine, 2-(methylsulfanyl)-5-nitropyrimidine, Pyrimidine,2-(methylthio)-5-nitro-, 2-methylsulfanyl-5-nitro-pyrimidine
| Molecular Formula | C5H5N3O2S |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.01025 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 14001-70-8 |
|---|---|
| SMILES | CSC1=NC=C(C=N1)[N+](=O)[O-] |
| InChIKey | APNBIRVIHOWZRZ-UHFFFAOYSA-N |
Product Overview
2-(Methylthio)-5-nitropyrimidine (CAS 14001-70-8), with molecular formula C5H5N3O2S and molecular weight 171.01 g/mol. IUPAC: 2-methylsulfanyl-5-nitropyrimidine.
Chemical Property Profile of 2-(Methylthio)-5-nitropyrimidine
Property Insights of 2-(Methylthio)-5-nitropyrimidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-5-nitropyrimidine. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-5-nitropyrimidine. Following Lipinski's Rule of Five, 2-(Methylthio)-5-nitropyrimidine 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 2-(Methylthio)-5-nitropyrimidine?
The CAS number of 2-(Methylthio)-5-nitropyrimidine is 14001-70-8.
What is the molecular formula of 2-(Methylthio)-5-nitropyrimidine?
The molecular formula of 2-(Methylthio)-5-nitropyrimidine is C5H5N3O2S.
What is the molecular weight of 2-(Methylthio)-5-nitropyrimidine?
The molecular weight of 2-(Methylthio)-5-nitropyrimidine is 171.01 g/mol.
Where can I buy 2-(Methylthio)-5-nitropyrimidine?
You can request a quote for 2-(Methylthio)-5-nitropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-5-nitropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-5-nitropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.