Found 76 results

Search term: MF = 'C_{16}H_{15}BrN_{2}OS_{2}'
ChemSpider 2D Image | 3-[(5-Bromo-2-thienyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | C16H15BrN2OS2

3-[(5-Bromo-2-thienyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC16H15BrN2OS2
  • Average mass395.337 Da
  • Monoisotopic mass393.980896 Da
  • ChemSpider ID33558714

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-[(5-bromo-2-thienyl)methyl]-5,6,7,8-tetrahydro-7-methyl- [ACD/Index Name]
3-[(5-Brom-2-thienyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-[(5-Bromo-2-thienyl)methyl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-[(5-Bromo-2-thiényl)méthyl]-7-méthyl-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 571.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±32.9 °C
Index of Refraction: 1.787
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2033.37
ACD/KOC (pH 5.5): 8121.16
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2033.37
ACD/KOC (pH 7.4): 8121.17
Polar Surface Area: 89 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 229.6±7.0 cm3

Click to predict properties on the Chemicalize site


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