ChemSpider 2D Image | indothiazinone | C12H8N2OS

indothiazinone

  • Molecular FormulaC12H8N2OS
  • Average mass228.270 Da
  • Monoisotopic mass228.035736 Da
  • ChemSpider ID32033781

More details:

Featured data source
Natural Product Updates

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

1H-Indol-3-yl(1,3-thiazol-2-yl)methanon [German] [ACD/IUPAC Name]
1H-Indol-3-yl(1,3-thiazol-2-yl)methanone [ACD/IUPAC Name]
1H-Indol-3-yl(1,3-thiazol-2-yl)méthanone [French] [ACD/IUPAC Name]
indothiazinone
Methanone, 1H-indol-3-yl-2-thiazolyl- [ACD/Index Name]
1588782-83-5 [RN]
3-(1,3-thiazole-2-carbonyl)-1H-indole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 467.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.2±26.5 °C
Index of Refraction: 1.728
Molar Refractivity: 64.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.34
ACD/KOC (pH 5.5): 575.21
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.34
ACD/KOC (pH 7.4): 575.22
Polar Surface Area: 74 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 162.7±3.0 cm3

Click to predict properties on the Chemicalize site


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