ChemSpider 2D Image | 3-Amino-2-methyl-7-(2-methyl-2-butanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | C16H23N3OS

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

  • Molecular FormulaC16H23N3OS
  • Average mass305.438 Da
  • Monoisotopic mass305.156189 Da
  • ChemSpider ID21329923

More details:






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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-amino-7-(1,1-dimethylpropyl)-5,6,7,8-tetrahydro-2-methyl- [ACD/Index Name]
3-Amino-2-methyl-7-(2-methyl-2-butanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-Amino-2-methyl-7-(2-methyl-2-butanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-Amino-2-méthyl-7-(2-méthyl-2-butanyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
3-amino-2-methyl-7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-amino-2-methyl-7-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
3-Amino-2-methyl-7-(tert-pentyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
3-Amino-7-(1,1-dimethylpropyl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
932886-93-6 [RN]

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

MFCD03419827 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 486.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.8±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.69
ACD/KOC (pH 5.5): 1188.17
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.69
ACD/KOC (pH 7.4): 1188.17
Polar Surface Area: 87 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 230.6±7.0 cm3

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