Found 1 result

Search term: NCHFTZBIJDTZHB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,3-Benzodithiol-2-ol | C7H6OS2

1,3-Benzodithiol-2-ol

  • Molecular FormulaC7H6OS2
  • Average mass170.252 Da
  • Monoisotopic mass169.986008 Da
  • ChemSpider ID57428869

More details:

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

1,3-Benzodithiol-2-ol [German] [ACD/Index Name] [ACD/IUPAC Name]
1,3-Benzodithiol-2-ol [ACD/Index Name] [ACD/IUPAC Name]
1,3-Benzodithiol-2-ol [French] [ACD/Index Name] [ACD/IUPAC Name]
52927-24-9 [RN]
2H-1,3-Benzodithiol-2-ol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 316.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 154.3±26.6 °C
Index of Refraction: 1.760
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.55
ACD/KOC (pH 5.5): 248.15
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.55
ACD/KOC (pH 7.4): 248.08
Polar Surface Area: 71 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site


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