ChemSpider 2D Image | (3aR,7aS)-2-[(1,1,2,2-Tetrachloroethyl)sulfanyl](4,4,5,6,7,7-~2~H_6_)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione | C10H3D6Cl4NO2S

(3aR,7aS)-2-[(1,1,2,2-Tetrachloroethyl)sulfanyl](4,4,5,6,7,7-2H6)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC10H3D6Cl4NO2S
  • Average mass355.098 Da
  • Monoisotopic mass352.948456 Da
  • ChemSpider ID58780481

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3aR,7aS)-2-[(1,1,2,2-Tetrachlorethyl)sulfanyl](4,4,5,6,7,7-2H6)-3a,4,7,7a-tetrahydro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
(3aR,7aS)-2-[(1,1,2,2-Tetrachloroethyl)sulfanyl](4,4,5,6,7,7-2H6)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
(3aR,7aS)-2-[(1,1,2,2-Tétrachloroéthyl)sulfanyl](4,4,5,6,7,7-2H6)-3a,4,7,7a-tétrahydro-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1H-Isoindole-1,3(2H)-dione-4,5,6,7-d4, 3a,4,7,7a-tetrahydro-4,7-d2-2-[(1,1,2,2-tetrachloroethyl)thio]-, (3aR,7aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 365.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 175.0±30.7 °C
Index of Refraction: 1.629
Molar Refractivity: 75.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.79
ACD/KOC (pH 5.5): 1188.77
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.79
ACD/KOC (pH 7.4): 1188.77
Polar Surface Area: 63 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 212.8±5.0 cm3

Click to predict properties on the Chemicalize site


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