ChemSpider 2D Image | 2-Bromo-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine | C7H10BrNS

2-Bromo-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine

  • Molecular FormulaC7H10BrNS
  • Average mass220.130 Da
  • Monoisotopic mass218.971725 Da
  • ChemSpider ID23313287

More details:

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

1222669-39-7 [RN]
2-Brom-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridin [German] [ACD/IUPAC Name]
2-Bromo-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine [ACD/IUPAC Name]
2-Bromo-3a,4,5,6,7,7a-hexahydrothiéno[3,2-c]pyridine [French] [ACD/IUPAC Name]
Thieno[3,2-c]pyridine, 2-bromo-3a,4,5,6,7,7a-hexahydro- [ACD/Index Name]
2-bromo-3aH,4H,5H,6H,7H,7aH-thieno[3,2-c]pyridine
CHEMBL398475
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398475/
MFCD24386872

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

Density: 1.6±0.1 g/cm3
Boiling Point: 308.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.5±27.9 °C
Index of Refraction: 1.611
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.33
Polar Surface Area: 37 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 141.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement