ChemSpider 2D Image | 3-Aminotetrahydro-2H-thiopyran-3-carboxylic acid | C6H11NO2S

3-Aminotetrahydro-2H-thiopyran-3-carboxylic acid

  • Molecular FormulaC6H11NO2S
  • Average mass161.222 Da
  • Monoisotopic mass161.051056 Da
  • ChemSpider ID23345696

More details:






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

2H-Thiopyran-3-carboxylic acid, 3-aminotetrahydro- [ACD/Index Name]
3-Aminotetrahydro-2H-thiopyran-3-carbonsäure [German] [ACD/IUPAC Name]
3-Aminotetrahydro-2H-thiopyran-3-carboxylic acid [ACD/IUPAC Name]
Acide 3-aminotétrahydro-2H-thiopyrane-3-carboxylique [French] [ACD/IUPAC Name]
[39124-24-8]
39124-24-8 [RN]
3-AMINOTETRAHYDRO-2H-THIOPYRAN-3-CARBOXYLICACID
3-aminothiane-3-carboxylic acid
MFCD08669346 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 334.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 63.5±6.0 kJ/mol
Flash Point: 156.2±27.9 °C
Index of Refraction: 1.571
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 124.2±3.0 cm3

Click to predict properties on the Chemicalize site






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