ChemSpider 2D Image | 1-[(4R)-7-Oxo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]urea | C9H10N2O2S

1-[(4R)-7-Oxo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]urea

  • Molecular FormulaC9H10N2O2S
  • Average mass210.253 Da
  • Monoisotopic mass210.046295 Da
  • ChemSpider ID34986413

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(4R)-7-Oxo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]harnstoff [German] [ACD/IUPAC Name]
1-[(4R)-7-Oxo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]urea [ACD/IUPAC Name]
1-[(4R)-7-Oxo-4,5,6,7-tétrahydro-1-benzothiophén-4-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[(4R)-4,5,6,7-tetrahydro-7-oxobenzo[b]thien-4-yl]- [ACD/Index Name]
58095-31-1 [RN]
sulbenox
UNII-6J4L7U7I9D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 388.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 188.6±27.9 °C
Index of Refraction: 1.635
Molar Refractivity: 53.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.64
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.64
Polar Surface Area: 100 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 149.4±5.0 cm3

Click to predict properties on the Chemicalize site


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