Found 3 results

Search term: CAQGEFRXSFRKJL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2S)-amino(tetrahydro-2H-thiopyran-4-yl)acetate | C8H15NO2S

Methyl (2S)-amino(tetrahydro-2H-thiopyran-4-yl)acetate

  • Molecular FormulaC8H15NO2S
  • Average mass189.275 Da
  • Monoisotopic mass189.082352 Da
  • ChemSpider ID32790520

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Amino(tétrahydro-2H-thiopyrane-4-yl)acétate de méthyle [French] [ACD/IUPAC Name]
2H-Thiopyran-4-acetic acid, α-aminotetrahydro-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-amino(tetrahydro-2H-thiopyran-4-yl)acetate [ACD/IUPAC Name]
Methyl-(2S)-amino(tetrahydro-2H-thiopyran-4-yl)acetat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 277.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.5±19.0 °C
Index of Refraction: 1.522
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.47
Polar Surface Area: 78 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 165.2±3.0 cm3

Click to predict properties on the Chemicalize site


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