ChemSpider 2D Image | 1,3-Benzenedithiol | C6H6S2

1,3-Benzenedithiol

  • Molecular FormulaC6H6S2
  • Average mass142.242 Da
  • Monoisotopic mass141.991089 Da
  • ChemSpider ID21170925

More details:






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

1,3-Benzenedithiol [ACD/Index Name] [ACD/IUPAC Name]
1,3-Benzènedithiol [French] [ACD/IUPAC Name]
1,3-Benzoldithiol [German] [ACD/IUPAC Name]
1,3-Dimercaptobenzene
210-925-3 [EINECS]
626-04-0 [RN]
benzene-1,3-dithiol
MFCD00004842 [MDL number]
"BENZENE-1,3-DITHIOL"
[626-04-0]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

269093_ALDRICH [DBID]
38491_FLUKA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 244.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 112.7±13.8 °C
Index of Refraction: 1.666
Molar Refractivity: 42.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 53.73
ACD/KOC (pH 5.5): 541.16
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 13.22
Polar Surface Area: 78 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 114.7±3.0 cm3

Click to predict properties on the Chemicalize site






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