ChemSpider 2D Image | 2-THIOTHINONE | C8H11NOS

2-THIOTHINONE

  • Molecular FormulaC8H11NOS
  • Average mass169.244 Da
  • Monoisotopic mass169.056137 Da
  • ChemSpider ID16113492

More details:

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

1-Propanone, 2-(methylamino)-1-(2-thienyl)- [ACD/Index Name]
2-(Methylamino)-1-(2-thienyl)-1-propanon [German] [ACD/IUPAC Name]
2-(Methylamino)-1-(2-thienyl)-1-propanone [ACD/IUPAC Name]
2-(Méthylamino)-1-(2-thiényl)-1-propanone [French] [ACD/IUPAC Name]
24065-17-6 [RN]
2-THIOTHINONE
2-(methylamino)-1-(thiophen-2-yl)propan-1-one
MFCD20665906

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

8C758Z7L72 [DBID]
UNII:8C758Z7L72 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.0 g/cm3
Boiling Point: 279.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 51.8±0.0 kJ/mol
Flash Point: 122.7±0.0 °C
Index of Refraction: 1.534
Molar Refractivity: 47.5±0.0 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 46.79
Polar Surface Area: 57 Å2
Polarizability: 18.8±0.0 10-24cm3
Surface Tension: 38.6±0.0 dyne/cm
Molar Volume: 152.6±0.0 cm3

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