ChemSpider 2D Image | 3-Aminotetrahydro-2-thiophenecarboxylic acid 1,1-dioxide | C5H9NO4S

3-Aminotetrahydro-2-thiophenecarboxylic acid 1,1-dioxide

  • Molecular FormulaC5H9NO4S
  • Average mass179.194 Da
  • Monoisotopic mass179.025223 Da
  • ChemSpider ID26550544

More details:






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

1378295-24-9 [RN]
2-Thiophenecarboxylic acid, 3-aminotetrahydro-, 1,1-dioxide [ACD/Index Name]
3-Amino-1,1-dioxo-tetrahydro-thiophene-2-carboxylic acid
3-Aminotetrahydro-2-thiophencarbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
3-Aminotetrahydro-2-thiophenecarboxylic acid 1,1-dioxide [ACD/IUPAC Name]
Acide 1,1-dioxyde de 3-aminotétrahydro-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
MFCD11975922

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

Density: 1.6±0.1 g/cm3
Boiling Point: 502.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 257.9±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 37.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -4.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 115.1±3.0 cm3

Click to predict properties on the Chemicalize site






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