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Search term: MF = 'C_{8}H_{15}NO_{2}S'
ChemSpider 2D Image | 3-(dimethylamino)thiane-3-carboxylic acid | C8H15NO2S

3-(dimethylamino)thiane-3-carboxylic acid

  • Molecular FormulaC8H15NO2S
  • Average mass189.275 Da
  • Monoisotopic mass189.082352 Da
  • ChemSpider ID28139382

More details:

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

1341328-00-4 [RN]
2H-Thiopyran-3-carboxylic acid, 3-(dimethylamino)tetrahydro- [ACD/Index Name]
3-(Dimethylamino)tetrahydro-2H-thiopyran-3-carbonsäure [German] [ACD/IUPAC Name]
3-(Dimethylamino)tetrahydro-2H-thiopyran-3-carboxylic acid [ACD/IUPAC Name]
3-(dimethylamino)thiane-3-carboxylic acid
Acide 3-(diméthylamino)tétrahydro-2H-thiopyrane-3-carboxylique [French] [ACD/IUPAC Name]
MFCD17257022

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

Density: 1.2±0.1 g/cm3
Boiling Point: 328.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.8±6.0 kJ/mol
Flash Point: 152.7±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 50.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 158.1±5.0 cm3

Click to predict properties on the Chemicalize site


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