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Search term: LTXFOYBHWPNWIT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-Propene-1,1-dithiol | C3H6S2

1-Propene-1,1-dithiol

  • Molecular FormulaC3H6S2
  • Average mass106.210 Da
  • Monoisotopic mass105.991089 Da
  • ChemSpider ID28671436

More details:

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

1-Propen-1,1-dithiol [German] [ACD/IUPAC Name]
1-Propene-1,1-dithiol [ACD/Index Name] [ACD/IUPAC Name]
1-Propène-1,1-dithiol [French] [ACD/IUPAC Name]
111900-12-0 [RN]
Prop-1-ene-1,1-dithiol
PROPENEDITHIOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 159.0±36.0 °C at 760 mmHg
Vapour Pressure: 3.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.9±3.0 kJ/mol
Flash Point: 52.1±20.1 °C
Index of Refraction: 1.548
Molar Refractivity: 31.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.21
ACD/KOC (pH 5.5): 231.28
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 5.40
ACD/KOC (pH 7.4): 87.83
Polar Surface Area: 78 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 99.6±3.0 cm3

Click to predict properties on the Chemicalize site


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