Hydroxythiopyridinone Liquid

Molecular formula: C5H5NO2S

Average mass: 143.160

Monoisotopic mass: 143.004099

SYNONYMS:

3-(Hydroxysulfanyl)-2(1H)-pyridinon

3-(Hydroxysulfanyl)-2(1H)-pyridinone

3-(Hydroxysulfanyl)-2(1H)-pyridinone

3-Pyridinesulfenic acid, 1,2-dihydro-2-oxo-

hydroxy(thio)pyridinone

hydroxythiopyridinone

Density: 1.5±0.1 g/cm³

Index of refraction: 1.676

Molar refractivity: 36.1±0.4 cm³

#H bond acceptors: 3

#H bond donors: 2

#Freely rotating bonds: 1

#Rule of 5 violations: 0

ACD/LogP: 0.26

ACD/LogD (pH 5.5): -0.10

ACD/BCF (pH 5.5): 1.00

ACD/KOC (pH 5.5): 20.91

ACD/LogD (pH 7.4): -0.12

ACD/BCF (pH 7.4): 1.00

ACD/KOC (pH 7.4): 20.24

Polar surface area: 75 Ų

Polarizability: 14.3±0.5 10⁻²⁴ cm³

Surface tension: 67.7±5.0 dyne/cm

Molar volume: 95.9±5.0 cm³