ChemSpider 2D Image | (3S,4R)-4-Ammoniotetrahydro-3-thiophenecarboxylate 1,1-dioxide | C5H9NO4S

(3S,4R)-4-Ammoniotetrahydro-3-thiophenecarboxylate 1,1-dioxide

  • Molecular FormulaC5H9NO4S
  • Average mass179.194 Da
  • Monoisotopic mass179.025223 Da
  • ChemSpider ID32794186

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R) 1,1-Dioxyde de 4-ammoniotétrahydro-3-thiophènecarboxylate [French] [ACD/IUPAC Name]
(3S,4R)-4-Ammoniotetrahydro-3-thiophencarboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
(3S,4R)-4-Ammoniotetrahydro-3-thiophenecarboxylate 1,1-dioxide [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 4-aminotetrahydro-, 1,1-dioxide, (3S,4R)- [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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