ChemSpider 2D Image | (3Z)-6-Chloro-3-(4-hydroxy-3,5-dimethoxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one | C18H15ClO4S

(3Z)-6-Chloro-3-(4-hydroxy-3,5-dimethoxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one

  • Molecular FormulaC18H15ClO4S
  • Average mass362.827 Da
  • Monoisotopic mass362.037964 Da
  • ChemSpider ID22847113

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-6-Chlor-3-(4-hydroxy-3,5-dimethoxybenzyliden)-2,3-dihydro-4H-thiochromen-4-on [German] [ACD/IUPAC Name]
(3Z)-6-Chloro-3-(4-hydroxy-3,5-dimethoxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one [ACD/IUPAC Name]
(3Z)-6-Chloro-3-(4-hydroxy-3,5-diméthoxybenzylidène)-2,3-dihydro-4H-thiochromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzothiopyran-4-one, 6-chloro-2,3-dihydro-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-, (3Z)- [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: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1052.74
ACD/KOC (pH 5.5): 5069.37
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1037.46
ACD/KOC (pH 7.4): 4995.80
Polar Surface Area: 81 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 258.4±3.0 cm3

Click to predict properties on the Chemicalize site


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