ChemSpider 2D Image | 1-[(3S,4R)-4-Hydroxytetrahydro-3-thiophenyl]urea | C5H10N2O2S

1-[(3S,4R)-4-Hydroxytetrahydro-3-thiophenyl]urea

  • Molecular FormulaC5H10N2O2S
  • Average mass162.210 Da
  • Monoisotopic mass162.046295 Da
  • ChemSpider ID22871328

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3S,4R)-4-Hydroxytetrahydro-3-thiophenyl]harnstoff [German] [ACD/IUPAC Name]
1-[(3S,4R)-4-Hydroxytetrahydro-3-thiophenyl]urea [ACD/IUPAC Name]
1-[(3S,4R)-4-Hydroxytétrahydro-3-thiophényl]urée [French] [ACD/IUPAC Name]
Urea, N-[(3S,4R)-tetrahydro-4-hydroxy-3-thienyl]- [ACD/Index Name]
[(3S,4R)-4-hydroxythiolan-3-yl]urea
30461-29-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 356.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.6±6.0 kJ/mol
Flash Point: 169.1±27.9 °C
Index of Refraction: 1.617
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.11
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.11
Polar Surface Area: 101 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 114.5±5.0 cm3

Click to predict properties on the Chemicalize site


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