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Inherent Properties, Identifiers and References
ChemSpider ID: 13871915
Empirical Formula: C6H9NOS
Molecular Weight: 143.2068
Nominal Mass: 143 Da
Average Mass: 143.2068 Da
Monoisotopic Mass: 143.040484 Da
Systematic Name: 2-(4-methylthiazol-5-yl)ethanol
SMILES: OCCc1scnc1C
InChI:
InChIKey: -
Std. InChI:
Std. InChIKey: -
(Details...) Predicted Properties
LogP: ACD/LogP: 0.04
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.04 ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 24.84 ACD/KOC (pH 7.4): 25.07
#H bond acceptors: 2 #H bond donors: 1
#Freely Rotating Bonds: 3 Polar Surface Area: 61.36 Å2
Index of Refraction: 1.564 Molar Refractivity: 38.63 cm3
Molar Volume: 118.7 cm3 Polarizability: 15.31 10-24cm3
Surface Tension: 49.8 dyne/cm Density: 1.206 g/cm3
Flash Point: 109.7 °C Enthalpy of Vaporization: 53.95 kJ/mol
Boiling Point: 272.4 °C at 760 mmHg Vapour Pressure: 0.00297 mmHg at 25°C