Molecular Structure of 2-Mercapto-1-phenylethanone (CAS No.2462-02-4):
Molecular Formula: C8H8OS
Molecular Weight: 152.2135
CAS No: 2462-02-4
Systematic Name: 1-Phenyl-2-sulfanylethanone
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 55.87 Å2
Index of Refraction: 1.568
Molar Refractivity: 44.177 cm3
Molar Volume: 135.012 cm3
Surface Tension: 42.299 dyne/cm
Density: 1.127 g/cm3
Flash Point: 109.125 °C
Enthalpy of Vaporization: 49.436 kJ/mol
Boiling Point: 256.827 °C at 760 mmHg
Vapour Pressure: 0.015 mmHg at 25°C
InChI: InChI=1/C8H8OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,10H,6H2
InChIKey: DIYFBIOUBFTQJU-UHFFFAOYAC
Std. InChI: InChI=1S/C8H8OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,10H,6H2
Std. InChIKey: DIYFBIOUBFTQJU-UHFFFAOYSA-N
2-Mercapto-1-phenylethanone (CAS No.2462-02-4), its synonyms are 1-Phenyl-2-sulfanylethanone ; Ethanone, 2-mercapto-1-phenyl- ; 2-Mercaptoacetophenone .
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