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Basic Information
CAS No.: 77168-37-7
Name: 2-(2-(methylthio)pyrimidin-4-yl)malonaldehyde
Molecular Structure:
Molecular Structure of 77168-37-7 (2-(2-(methylthio)pyrimidin-4-yl)malonaldehyde)
Formula: C8H8 N2 O2 S
Molecular Weight: 196.22600
Synonyms: Propanedial, [2-(methylthio)-4-pyrimidinyl]-(9CI); 2-(2-Methanesulfanylpyrimidin-4-yl)malonaldehyde
Density: 1.3
Boiling Point: 340.214ºC at 760 mmHg
Flash Point: 159.556ºC
PSA: 85.22000
LogP: 0.67990
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Chemistry

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

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 .