ChemSpider 2D Image | 2-Thietanecarboxylic acid 1,1-dioxide | C4H6O4S

2-Thietanecarboxylic acid 1,1-dioxide

  • Molecular FormulaC4H6O4S
  • Average mass150.153 Da
  • Monoisotopic mass149.998672 Da
  • ChemSpider ID49611926

More details:

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

2-Thietancarbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
2-Thietanecarboxylic acid 1,1-dioxide [ACD/IUPAC Name]
2-Thietanecarboxylic acid, 1,1-dioxide [ACD/Index Name]
Acide 1,1-dioxyde de -2-thiétanecarboxylique [French] [ACD/IUPAC Name]
1,1-dioxo-1λ6-thietane-2-carboxylic acid
1785450-70-5 [RN]
MFCD31616407

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

Density: 1.7±0.1 g/cm3
Boiling Point: 485.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 247.1±26.8 °C
Index of Refraction: 1.558
Molar Refractivity: 29.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 89.8±3.0 cm3

Click to predict properties on the Chemicalize site


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