ChemSpider 2D Image | 4-Chloro-2-cyclopropyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine | C17H21ClN2S

4-Chloro-2-cyclopropyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

  • Molecular FormulaC17H21ClN2S
  • Average mass320.880 Da
  • Monoisotopic mass320.111389 Da
  • ChemSpider ID17825000

More details:

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

[1]Benzothieno[2,3-d]pyrimidine, 4-chloro-2-cyclopropyl-7-(1,1-dimethylethyl)-5,6,7,8-tetrahydro- [ACD/Index Name]
4-Chlor-2-cyclopropyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-2-cyclopropyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine [ACD/IUPAC Name]
4-Chloro-2-cyclopropyl-7-(2-méthyl-2-propanyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
7-tert-butyl-4-chloro-2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
7-tert-Butyl-4-chloro-2-cyclopropyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
917746-35-1 [RN]
MFCD08898964 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 389.2±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 189.2±22.9 °C
Index of Refraction: 1.636
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21861.78
ACD/KOC (pH 5.5): 44455.44
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21863.17
ACD/KOC (pH 7.4): 44458.27
Polar Surface Area: 54 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 252.5±3.0 cm3

Click to predict properties on the Chemicalize site


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