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Search term: VZXNRJVUNRHUSP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-Sulfanyl-2,2-propanediol | C3H8O2S

1-Sulfanyl-2,2-propanediol

  • Molecular FormulaC3H8O2S
  • Average mass108.159 Da
  • Monoisotopic mass108.024498 Da
  • ChemSpider ID97051113

More details:






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

1-Sulfanyl-2,2-propandiol [German] [ACD/IUPAC Name]
1-Sulfanyl-2,2-propanediol [ACD/IUPAC Name]
1-Sulfanyl-2,2-propanediol [French] [ACD/IUPAC Name]
2,2-Propanediol, 1-mercapto- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 205.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.4±6.0 kJ/mol
Flash Point: 78.2±24.6 °C
Index of Refraction: 1.529
Molar Refractivity: 26.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.53
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.52
Polar Surface Area: 79 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 87.2±3.0 cm3

Click to predict properties on the Chemicalize site






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