ChemSpider 2D Image | 2,3-Bis[(methylamino)methyl]-1,4-butanedithiol | C8H20N2S2

2,3-Bis[(methylamino)methyl]-1,4-butanedithiol

  • Molecular FormulaC8H20N2S2
  • Average mass208.388 Da
  • Monoisotopic mass208.106796 Da
  • ChemSpider ID74899150

More details:

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

1,4-Butanedithiol, 2,3-bis[(methylamino)methyl]- [ACD/Index Name]
2,3-Bis[(methylamino)methyl]-1,4-butandithiol [German] [ACD/IUPAC Name]
2,3-Bis[(methylamino)methyl]-1,4-butanedithiol [ACD/IUPAC Name]
2,3-Bis[(méthylamino)méthyl]-1,4-butanedithiol [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 329.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.8±27.9 °C
Index of Refraction: 1.511
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 207.1±3.0 cm3

Click to predict properties on the Chemicalize site


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