Product Name

  • Name

    2-(2-(methylthio)pyrimidin-4-yl)malonaldehyde

  • EINECS
  • CAS No. 77168-37-7
  • Density 1.3
  • Solubility
  • Melting Point
  • Formula C8H8 N2 O2 S
  • Boiling Point 340.214ºC at 760 mmHg
  • Molecular Weight 196.22600
  • Flash Point 159.556ºC
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 77168-37-7 (2-(2-(methylthio)pyrimidin-4-yl)malonaldehyde)
  • Hazard Symbols
  • Synonyms Propanedial, [2-(methylthio)-4-pyrimidinyl]-(9CI); 2-(2-Methanesulfanylpyrimidin-4-yl)malonaldehyde
  • PSA 85.22000
  • LogP 0.67990

2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde Chemical Properties

Molecule structure of 2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde (CAS NO.77168-37-7):

Systematic Name: 2-(2-Methylsulfanylpyrimidin-4-yl)propanedial 
Molecular Formula: C8H8N2O2S
Molecular Weight: 196.23 g/mol 
CAS Registry Number: 77168-37-7 
Index of Refraction: 1.573
Molar Refractivity: 49.542 cm3
Molar Volume: 150.38 cm3
Polarizability: 19.64×10-24 cm3
Surface Tension: 61.628 dyne/cm
Density: 1.305 g/cm3
Flash Point: 159.556 °C
Enthalpy of Vaporization: 58.374 kJ/mol
Boiling Point: 340.214 °C at 760 mmHg 
SMILES: CSc1nccc(n1)C(C=O)C=O
InChI: InChI=1/C8H8N2O2S/c1-13-8-9-3-2-7(10-8)6(4-11)5-12/h2-6H,1H3
InChIKey: ARQRGYFOBLEOBL-UHFFFAOYAK
Std. InChI: InChI=1S/C8H8N2O2S/c1-13-8-9-3-2-7(10-8)6(4-11)5-12/h2-6H,1H3
Std. InChIKey of 2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde (CAS NO.77168-37-7): ARQRGYFOBLEOBL-UHFFFAOYSA-N

2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde Specification

 2-(2-(Methylthio)pyrimidin-4-yl)malonaldehyde (CAS NO.77168-37-7) is also named as Propanedial, 2-[2-(methylthio)-4-pyrimidinyl]- ; Propanedial, [2-(methylthio)-4-pyrimidinyl]-(9CI ; 2-(2-Methylsulfanylpyrimidin-4-yl)propanedial .

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