ChemSpider 2D Image | (2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine | C8H10N2OS

(2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

  • Molecular FormulaC8H10N2OS
  • Average mass182.243 Da
  • Monoisotopic mass182.051376 Da
  • ChemSpider ID24605319

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amin [German] [ACD/IUPAC Name]
(2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine [ACD/IUPAC Name]
(2S)-2-Méthyl-2,3-dihydrothiéno[2,3-f][1,4]oxazépin-5-amine [French] [ACD/IUPAC Name]
Thieno[2,3-f]-1,4-oxazepin-5-amine, 2,3-dihydro-2-methyl-, (2S)- [ACD/Index Name]
(2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 14
(2S)-2-methyl-2H,3H-thieno[2,3-f][1,4]oxazepin-5-amine

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

329 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 332.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 154.6±30.7 °C
Index of Refraction: 1.693
Molar Refractivity: 48.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.03
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 71.53
Polar Surface Area: 76 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 125.9±7.0 cm3

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