ChemSpider 2D Image | 2,3-Diamino-1,4-butanedithiol | C4H12N2S2

2,3-Diamino-1,4-butanedithiol

  • Molecular FormulaC4H12N2S2
  • Average mass152.281 Da
  • Monoisotopic mass152.044189 Da
  • ChemSpider ID28291406

More details:

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

1,4-Butanedithiol, 2,3-diamino- [ACD/Index Name]
2,3-Diamino-1,4-butandithiol [German] [ACD/IUPAC Name]
2,3-Diamino-1,4-butanedithiol [ACD/IUPAC Name]
2,3-Diamino-1,4-butanedithiol [French] [ACD/IUPAC Name]
1,4-BUTANEDITHIOL,2,3-DIAMINO-
89020-07-5 [RN]
MFCD18806124

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

Density: 1.2±0.1 g/cm3
Boiling Point: 313.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 143.4±27.9 °C
Index of Refraction: 1.577
Molar Refractivity: 43.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 130 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 130.8±3.0 cm3

Click to predict properties on the Chemicalize site


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