Hydroxythiopyrone

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