ChemSpider 2D Image | N-(1,3-Thiazol-4-ylmethyl)-4-thiochromanamine | C13H14N2S2

N-(1,3-Thiazol-4-ylmethyl)-4-thiochromanamine

  • Molecular FormulaC13H14N2S2
  • Average mass262.394 Da
  • Monoisotopic mass262.059845 Da
  • ChemSpider ID34149578

More details:

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

4-Thiazolemethanamine, N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)- [ACD/Index Name]
N-(1,3-Thiazol-4-ylmethyl)-4-thiochromanamin [German] [ACD/IUPAC Name]
N-(1,3-Thiazol-4-ylmethyl)-4-thiochromanamine [ACD/IUPAC Name]
N-(1,3-Thiazol-4-ylméthyl)-4-thiochromanamine [French] [ACD/IUPAC Name]
1272960-33-4 [RN]
MFCD13224847
N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-1-benzothiopyran-4-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 412.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 203.2±28.7 °C
Index of Refraction: 1.670
Molar Refractivity: 75.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 14.67
ACD/KOC (pH 5.5): 143.33
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.26
ACD/KOC (pH 7.4): 803.55
Polar Surface Area: 78 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 202.1±5.0 cm3

Click to predict properties on the Chemicalize site


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