Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)
TL;DR: Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) (CAS 5445-73-8) is a chemical compound with molecular formula C5H11IN2S and molecular weight 257.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydroiodide
Also Known As: 2-(Methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide, 2-(Methylsulfanyl)-1,4,5,6-tetrahydropyrimidine hydroiodide, 5332AE, Pyrimidinium, 1,4,5,6-tetrahydro-2-methylthio-, iodide, 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydroiodide
| Molecular Formula | C5H11IN2S |
|---|---|
| Molecular Weight | 257.97 g/mol |
| LogP | 1.3167 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.96878 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 5445-73-8 |
|---|---|
| SMILES | CSC1=NCCCN1.I |
| InChIKey | RUXGXTKDBJMOAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) (CAS 5445-73-8), with molecular formula C5H11IN2S and molecular weight 257.97 g/mol. IUPAC: 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine;hydroiodide.
Chemical Property Profile of Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)
Property Insights of Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)
The XLogP value of 1.3167 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1). With a topological polar surface area (TPSA) of 49.7 Ų, Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) has 2 hydrogen bond donor(s) and 2 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, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)?
The CAS number of Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) is 5445-73-8.
What is the molecular formula of Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)?
The molecular formula of Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) is C5H11IN2S.
What is the molecular weight of Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)?
The molecular weight of Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) is 257.97 g/mol.
Where can I buy Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)?
You can request a quote for Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 1,4,5,6-tetrahydro-2-(methylthio)-, hydriodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.