ChemSpider 2D Image | (2S)-1,2-Butanedithiol | C4H10S2

(2S)-1,2-Butanedithiol

  • Molecular FormulaC4H10S2
  • Average mass122.252 Da
  • Monoisotopic mass122.022392 Da
  • ChemSpider ID34996007

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2-Butandithiol [German] [ACD/IUPAC Name]
(2S)-1,2-Butanedithiol [ACD/IUPAC Name]
(2S)-1,2-Butanedithiol [French] [ACD/IUPAC Name]
1,2-Butanedithiol, (2S)- [ACD/Index Name]
(2R)-butane-1,2-dithiol
1,2-Butanedithiol [ACD/Index Name] [ACD/IUPAC Name]
16128-68-0 [RN]
240-290-8 [EINECS]
Butane-1,2-dithiol
UNII-2L7E5T7FUM

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

Density: 1.0±0.1 g/cm3
Boiling Point: 176.5±13.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.6±3.0 kJ/mol
Flash Point: 61.1±15.1 °C
Index of Refraction: 1.502
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.62
ACD/KOC (pH 5.5): 293.05
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.47
ACD/KOC (pH 7.4): 290.77
Polar Surface Area: 78 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 123.0±3.0 cm3

Click to predict properties on the Chemicalize site


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