Molecular Structure of 6-Methyl-2-(methylthio)pyrimidin-4-ol (CAS No.6328-58-1):
Molecular Formula: C6H8N2OS
Molecular Weight: 156.2055
CAS No: 6328-58-1
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 57.97 Å2
Index of Refraction: 1.618
Molar Refractivity: 42.04 cm3
Molar Volume: 119.9 cm3
Surface Tension: 45.1 dyne/cm
Density: 1.3 g/cm3
Flash Point: 110.6 °C
Enthalpy of Vaporization: 49.69 kJ/mol
Boiling Point: 259.2 °C at 760 mmHg
Vapour Pressure: 0.0131 mmHg at 25°C
IUPAC Name: 6-Methyl-2-methylsulfanyl-1H-pyrimidin-4-one
InChI: InChI=1/C6H8N2OS/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKey: OCOHPSHRDKBGOZ-UHFFFAOYAG
Std. InChI: InChI=1S/C6H8N2OS/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)
Std. InChIKey: OCOHPSHRDKBGOZ-UHFFFAOYSA-N
6-Methyl-2-(methylthio)pyrimidin-4-ol (CAS No.6328-58-1), its synonyms are 6-Methyl-2-methylthio-3H-pyrimidin-4-one ; 4(1H)-Pyrimidinone, 6-methyl-2-(methylthio)- ; 4-Pyrimidinol, 6-methyl-2-(methylthio)- .
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