ChemSpider 2D Image | N-[(2E)-2,3-Dichloro-2-propen-1-yl]-3-thietanamine | C6H9Cl2NS

N-[(2E)-2,3-Dichloro-2-propen-1-yl]-3-thietanamine

  • Molecular FormulaC6H9Cl2NS
  • Average mass198.113 Da
  • Monoisotopic mass196.983276 Da
  • ChemSpider ID61906602

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Thietanamine, N-[(2E)-2,3-dichloro-2-propen-1-yl]- [ACD/Index Name]
N-[(2E)-2,3-Dichlor-2-propen-1-yl]-3-thietanamin [German] [ACD/IUPAC Name]
N-[(2E)-2,3-Dichloro-2-propen-1-yl]-3-thietanamine [ACD/IUPAC Name]
N-[(2E)-2,3-Dichloro-2-propén-1-yl]-3-thiétanamine [French] [ACD/IUPAC Name]
2092873-55-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 301.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 136.1±27.9 °C
Index of Refraction: 1.572
Molar Refractivity: 48.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 8.59
ACD/KOC (pH 5.5): 99.42
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.47
ACD/KOC (pH 7.4): 526.32
Polar Surface Area: 37 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 148.1±5.0 cm3

Click to predict properties on the Chemicalize site


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