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 (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 .