ChemSpider 2D Image | 1-Methyl-3-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiourea | C11H19N5S

1-Methyl-3-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiourea

  • Molecular FormulaC11H19N5S
  • Average mass253.367 Da
  • Monoisotopic mass253.136108 Da
  • ChemSpider ID21873526

More details:

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

1-Methyl-3-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thioharnstoff [German] [ACD/IUPAC Name]
1-Methyl-3-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]thiourea [ACD/IUPAC Name]
1-Méthyl-3-[1-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)éthyl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-methyl-N'-[1-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 434.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.6±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 71.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 43.10
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.30
Polar Surface Area: 87 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 189.3±7.0 cm3

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