Found 2 results

Search term: XJHRHLLCUNIKIE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-3-(Aminomethyl)tetrahydro-3-thiopheneol | C5H11NOS

(3R)-3-(Aminomethyl)tetrahydro-3-thiopheneol

  • Molecular FormulaC5H11NOS
  • Average mass133.212 Da
  • Monoisotopic mass133.056137 Da
  • ChemSpider ID67965880

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(Aminomethyl)tetrahydro-3-thiopheneol [ACD/IUPAC Name]
(3R)-3-(Aminométhyl)tétrahydro-3-thiophèneol [French] [ACD/IUPAC Name]
(3R)-3-(Aminomethyl)tetrahydro-3-thiophenol [German] [ACD/IUPAC Name]
3-Thiopheneol, 3-(aminomethyl)tetrahydro-, (3R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 260.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.9±6.0 kJ/mol
Flash Point: 111.4±23.2 °C
Index of Refraction: 1.585
Molar Refractivity: 36.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 108.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement