Hydroxythiopyrone
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Quantity: 50ml
Synonym:
hydroxy(thio)pyrone
2H-Pyran-3-sulfenic acid, 2-oxo-
3-(Hydroxysulfanyl)-2H-pyran-2-on
3-(Hydroxysulfanyl)-2H-pyran-2-one
3-(Hydroxysulfanyl)-2H-pyran-2-one
Molecular formula:C5H4O3S
Average mass: 144.144
Monoisotopic mass: 143.988115
Density:1.5±0.1 g/cm³
Boiling point: 377.4±52.0 °C at 760 mmHg
Vapour pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of vaporization: 72.3±6.0 kJ/mol
Flash point: 182.0±30.7 °C
Index of refraction: 1.643
Molar refractivity: 34.1±0.4 cm³
#H bond acceptors: 3
#H bond donors: 1
#Freely rotating bonds: 1
#Rule of 5 violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 44.62
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 41.75
Polar surface area: 72 Ų
Polarizability: 13.5±0.5 10⁻²⁴ cm³
Surface tension: 64.0±5.0 dyne/cm
Molar volume: 94.4±5.0 cm³