ChemSpider 2D Image | (3S)-3-Amino-2-thietanone | C3H5NOS

(3S)-3-Amino-2-thietanone

  • Molecular FormulaC3H5NOS
  • Average mass103.143 Da
  • Monoisotopic mass103.009186 Da
  • ChemSpider ID32973639

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-2-thietanon [German] [ACD/IUPAC Name]
(3S)-3-Amino-2-thietanone [ACD/IUPAC Name]
(3S)-3-Amino-2-thiêtanone [French] [ACD/IUPAC Name]
2-Thietanone, 3-amino-, (3S)- [ACD/Index Name]
881022-46-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 245.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 102.5±25.4 °C
Index of Refraction: 1.605
Molar Refractivity: 25.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.94
Polar Surface Area: 68 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 74.5±3.0 cm3

Click to predict properties on the Chemicalize site


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