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

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

  • Molecular FormulaC5H9NO4S
  • Average mass179.194 Da
  • Monoisotopic mass179.025223 Da
  • ChemSpider ID34443399

More details:

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

3-Aminotetrahydro-3-thiophencarbonsäure-1,1-dioxid [German] [ACD/IUPAC Name]
3-Aminotetrahydro-3-thiophenecarboxylic acid 1,1-dioxide [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 3-aminotetrahydro-, 1,1-dioxide [ACD/Index Name]
Acide 1,1-dioxyde de 3-aminotétrahydro-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
3-amino-1,1-dioxo-1λ6-thiolane-3-carboxylic acid
3-Amino-1,1-dioxo-tetrahydro-1l6-thiophene-3-carboxylic acid
3-Aminotetrahydrothiophene-3-carboxylic acid 1,1-dioxide
40057-27-0 [RN]
MFCD11975932

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

Density: 1.6±0.1 g/cm3
Boiling Point: 491.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 250.8±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 37.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 113.5±3.0 cm3

Click to predict properties on the Chemicalize site


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