ChemSpider 2D Image | 2-{[4-(3-Pyridinyl)-2-pyrimidinyl]sulfanyl}-N,N-bis(2-{[4-(3-pyridinyl)-2-pyrimidinyl]sulfanyl}ethyl)ethanamine | C33H30N10S3

2-{[4-(3-Pyridinyl)-2-pyrimidinyl]sulfanyl}-N,N-bis(2-{[4-(3-pyridinyl)-2-pyrimidinyl]sulfanyl}ethyl)ethanamine

  • Molecular FormulaC33H30N10S3
  • Average mass662.853 Da
  • Monoisotopic mass662.181702 Da
  • ChemSpider ID24742864

More details:

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

2-{[4-(3-Pyridinyl)-2-pyrimidinyl]sulfanyl}-N,N-bis(2-{[4-(3-pyridinyl)-2-pyrimidinyl]sulfanyl}ethyl)ethanamin [German] [ACD/IUPAC Name]
2-{[4-(3-Pyridinyl)-2-pyrimidinyl]sulfanyl}-N,N-bis(2-{[4-(3-pyridinyl)-2-pyrimidinyl]sulfanyl}ethyl)ethanamine [ACD/IUPAC Name]
2-{[4-(3-Pyridinyl)-2-pyrimidinyl]sulfanyl}-N,N-bis(2-{[4-(3-pyridinyl)-2-pyrimidinyl]sulfanyl}éthyl)éthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[[4-(3-pyridinyl)-2-pyrimidinyl]thio]-N,N-bis[2-[[4-(3-pyridinyl)-2-pyrimidinyl]thio]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 901.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 498.8±34.3 °C
Index of Refraction: 1.733
Molar Refractivity: 186.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 429.02
ACD/KOC (pH 5.5): 1975.68
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1201.20
ACD/KOC (pH 7.4): 5531.59
Polar Surface Area: 195 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 94.8±5.0 dyne/cm
Molar Volume: 465.2±5.0 cm3

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