Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide
TL;DR: Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide (CAS 71208-64-5) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidine
Also Known As: 4-((3-Pyridinylmethyl)thio)pyrimidine N-oxide, 4-(N-Oxidopyridyl-3-methyl)thiopyrimidine, 2-(Pyridyl-3-methylthio)pyrimidine hydrochloride, Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide, 4-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidine
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.4023 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 435.69244 |
Chemical Identifiers
| CAS Number | 71208-64-5 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])CSC2=NC=NC=C2 |
Product Overview
Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide (CAS 71208-64-5), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 4-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidine.
Chemical Property Profile of Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide
Property Insights of Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide
The XLogP value of 1.4023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide. With a topological polar surface area (TPSA) of 52.72 Ų, Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide has 0 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 Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide?
The CAS number of Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide is 71208-64-5.
What is the molecular formula of Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide?
The molecular formula of Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide is C10H9N3OS.
What is the molecular weight of Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide?
The molecular weight of Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide is 219.05 g/mol.
Where can I buy Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide?
You can request a quote for Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-((3-pyridinylmethyl)thio)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.