ChemSpider 2D Image | 4-(3-Aminotetrahydro-3-thiophenyl)tetrahydro-2H-thiopyran-4-ol | C9H17NOS2

4-(3-Aminotetrahydro-3-thiophenyl)tetrahydro-2H-thiopyran-4-ol

  • Molecular FormulaC9H17NOS2
  • Average mass219.367 Da
  • Monoisotopic mass219.075150 Da
  • ChemSpider ID65665327

More details:

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

2H-Thiopyran-4-ol, 4-(3-aminotetrahydro-3-thienyl)tetrahydro- [ACD/Index Name]
4-(3-Aminotetrahydro-3-thiophenyl)tetrahydro-2H-thiopyran-4-ol [German] [ACD/IUPAC Name]
4-(3-Aminotetrahydro-3-thiophenyl)tetrahydro-2H-thiopyran-4-ol [ACD/IUPAC Name]
4-(3-Aminotétrahydro-3-thiophényl)tétrahydro-2H-thiopyrane-4-ol [French] [ACD/IUPAC Name]
2171647-07-5 [RN]
4-(3-aminothiolan-3-yl)thian-4-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 379.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 183.4±27.9 °C
Index of Refraction: 1.638
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 97 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 169.2±3.0 cm3

Click to predict properties on the Chemicalize site


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