4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine

Base Information

• Chemical Name: 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
• CAS No.: 339017-59-3
• Molecular Formula: C9H12ClN3S
• Molecular Weight: 229.72
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00363304
• Wikidata: Q82146942
• Mol file: 339017-59-3.mol

Synonyms:4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine;339017-59-3;4-chloro-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine;4-chloro-2-(methylsulfanyl)-6-(1-pyrrolidinyl)pyrimidine;4-chloro-2-(methylsulfanyl)-6-(pyrrolidin-1-yl)pyrimidine;DTXSID00363304;MFCD00973753;AKOS015851148;SB58871;CS-0211781;7M-800;A875154

Chemical Property of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine

Chemical Property:

• Vapor Pressure: 5.78E-06mmHg at 25°C
• Refractive Index: 1.623
• Boiling Point: 379.6 °C at 760 mmHg
• Flash Point: 183.4 °C
• PSA: 54.32000
• Density: 1.34 g/cm³
• LogP: 2.51710
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.0440463
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

≥95% ^*data from raw suppliers

4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=CC(=N1)Cl)N2CCCC2