ChemSpider 2D Image | 2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione | C9H8Cl3NO2S

2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC9H8Cl3NO2S
  • Average mass300.589 Da
  • Monoisotopic mass298.934143 Da
  • ChemSpider ID57480656

More details:

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

1H-Isoindole-1,3(2H)-dione, 3a,4,5,6-tetrahydro-2-[(trichloromethyl)thio]- [ACD/Index Name]
2-[(Trichlormethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(Trichloromethyl)sulfanyl]-3a,4,5,6-tetrahydro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(Trichlorométhyl)sulfanyl]-3a,4,5,6-tétrahydro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1H-ISOINDOLE-1,3(2H)-DIONE, TETRAHYDRO-2-[(TRICHLOROMETHYL)THIO]-
30922-32-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 328.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.7±30.7 °C
Index of Refraction: 1.637
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.61
ACD/KOC (pH 5.5): 457.94
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.61
ACD/KOC (pH 7.4): 457.94
Polar Surface Area: 63 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 183.6±5.0 cm3

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