ChemSpider 2D Image | 3H-[1,2]Oxathiolo[3,4-b]pyridine | C6H5NOS

3H-[1,2]Oxathiolo[3,4-b]pyridine

  • Molecular FormulaC6H5NOS
  • Average mass139.175 Da
  • Monoisotopic mass139.009186 Da
  • ChemSpider ID28291495

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3H-[1,2]Oxathiolo[3,4-b]pyridin [German] [ACD/IUPAC Name]
3H-[1,2]Oxathiolo[3,4-b]pyridine [ACD/Index Name] [ACD/IUPAC Name]
3H-[1,2]Oxathiolo[3,4-b]pyridine [French] [ACD/Index Name] [ACD/IUPAC Name]
143039-97-8 [RN]
3H-[1,2]Oxathiolo[3,4-b]pyridine(9CI)
MFCD18818017

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 248.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.6±3.0 kJ/mol
Flash Point: 104.2±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 37.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.28
ACD/KOC (pH 5.5): 114.37
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.29
ACD/KOC (pH 7.4): 114.70
Polar Surface Area: 47 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 102.3±3.0 cm3

Click to predict properties on the Chemicalize site


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