ChemSpider 2D Image | 3,7-Dimethyl-1,2,5-trithiepane | C6H12S3

3,7-Dimethyl-1,2,5-trithiepane

  • Molecular FormulaC6H12S3
  • Average mass180.355 Da
  • Monoisotopic mass180.010117 Da
  • ChemSpider ID57476122

More details:

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

1,2,5-Trithiepane, 3,7-dimethyl- [ACD/Index Name]
3,7-Dimethyl-1,2,5-trithiepan [German] [ACD/IUPAC Name]
3,7-Dimethyl-1,2,5-trithiepane [ACD/IUPAC Name]
3,7-Diméthyl-1,2,5-trithiépane [French] [ACD/IUPAC Name]
3,7-dimethyl-1,2,5-trithiacycloheptane
61373-74-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 266.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 117.1±21.3 °C
Index of Refraction: 1.557
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.58
ACD/KOC (pH 5.5): 1029.90
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.58
ACD/KOC (pH 7.4): 1029.90
Polar Surface Area: 76 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 162.6±3.0 cm3

Click to predict properties on the Chemicalize site


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