ChemSpider 2D Image | 2-(3-(Methylthio)propyl)isoindoline-1,3-dione | C12H13NO2S

2-(3-(Methylthio)propyl)isoindoline-1,3-dione

  • Molecular FormulaC12H13NO2S
  • Average mass235.302 Da
  • Monoisotopic mass235.066696 Da
  • ChemSpider ID28534753

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-(methylthio)propyl]- [ACD/Index Name]
2-(3-(Methylthio)propyl)isoindoline-1,3-dione
2-[3-(Methylsulfanyl)propyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[3-(Methylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[3-(Méthylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
52096-79-4 [RN]
[52096-79-4] [RN]
2-(3-methylsulfanylpropyl)isoindole-1,3-dione
2-[3-(methylsulfanyl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
2-[3-(METHYLSULFANYL)PROPYL]ISOINDOLE-1,3-DIONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 376.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 181.7±23.2 °C
Index of Refraction: 1.602
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.99
ACD/KOC (pH 5.5): 513.77
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.99
ACD/KOC (pH 7.4): 513.77
Polar Surface Area: 63 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 187.1±3.0 cm3

Click to predict properties on the Chemicalize site


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