ChemSpider 2D Image | (2S,4R)-2-Amino-4H-1,3-benzoxathiin-4-ol | C8H9NO2S

(2S,4R)-2-Amino-4H-1,3-benzoxathiin-4-ol

  • Molecular FormulaC8H9NO2S
  • Average mass183.228 Da
  • Monoisotopic mass183.035000 Da
  • ChemSpider ID25058288

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-2-Amino-4H-1,3-benzoxathiin-4-ol [German] [ACD/IUPAC Name]
(2S,4R)-2-Amino-4H-1,3-benzoxathiin-4-ol [ACD/IUPAC Name]
(2S,4R)-2-Amino-4H-1,3-benzoxathiin-4-ol [French] [ACD/IUPAC Name]
4H-1,3-Benzoxathiin-4-ol, 2-amino-, (2S,4R)- [ACD/Index Name]
2-AMINO-4H-1,3-BENZOXATHIIN-4-OL [ACD/IUPAC Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 369.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 65.0±0.0 kJ/mol
Flash Point: 177.1±0.0 °C
Index of Refraction: 1.664
Molar Refractivity: 48.7±0.0 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 121.40
ACD/KOC (pH 5.5): 976.82
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 172.03
ACD/KOC (pH 7.4): 1384.20
Polar Surface Area: 81 Å2
Polarizability: 19.3±0.0 10-24cm3
Surface Tension: 63.1±0.0 dyne/cm
Molar Volume: 131.3±0.0 cm3

Click to predict properties on the Chemicalize site


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