ChemSpider 2D Image | 1-Benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)thiourea | C17H18N2S2

1-Benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)thiourea

  • Molecular FormulaC17H18N2S2
  • Average mass314.468 Da
  • Monoisotopic mass314.091125 Da
  • ChemSpider ID21879743

More details:

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

1-Benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)thioharnstoff [German] [ACD/IUPAC Name]
1-Benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)thiourea [ACD/IUPAC Name]
1-Benzyl-3-(3,4-dihydro-2H-thiochromén-4-yl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N'-(phenylmethyl)- [ACD/Index Name]
1-benzyl-3-thiochroman-4-yl-thiourea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.4±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1058.04
ACD/KOC (pH 5.5): 5087.87
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1058.04
ACD/KOC (pH 7.4): 5087.90
Polar Surface Area: 81 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 248.0±5.0 cm3

Click to predict properties on the Chemicalize site


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