ChemSpider 2D Image | 4,4-Dimethyltetrahydro-2H-thiopyran-3-thiol | C7H14S2

4,4-Dimethyltetrahydro-2H-thiopyran-3-thiol

  • Molecular FormulaC7H14S2
  • Average mass162.316 Da
  • Monoisotopic mass162.053696 Da
  • ChemSpider ID35753832

More details:

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

2H-Thiopyran-3-thiol, tetrahydro-4,4-dimethyl- [ACD/Index Name]
4,4-Dimethyltetrahydro-2H-thiopyran-3-thiol [German] [ACD/IUPAC Name]
4,4-Dimethyltetrahydro-2H-thiopyran-3-thiol [ACD/IUPAC Name]
4,4-Diméthyltétrahydro-2H-thiopyrane-3-thiol [French] [ACD/IUPAC Name]
1516752-29-6 [RN]
4,4-dimethylthiane-3-thiol
MFCD23800263

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

Density: 1.0±0.1 g/cm3
Boiling Point: 226.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 90.6±25.4 °C
Index of Refraction: 1.535
Molar Refractivity: 48.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.17
ACD/KOC (pH 5.5): 773.72
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.94
ACD/KOC (pH 7.4): 771.45
Polar Surface Area: 64 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 36.1±5.0 dyne/cm
Molar Volume: 155.1±5.0 cm3

Click to predict properties on the Chemicalize site


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