ChemSpider 2D Image | LJ-001 | C17H13NO2S2

LJ-001

  • Molecular FormulaC17H13NO2S2
  • Average mass327.421 Da
  • Monoisotopic mass327.038757 Da
  • ChemSpider ID23288467
  • Double-bond stereo - Double-bond stereo


More details:






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

(5Z)-3-Allyl-5-[(5-phenyl-2-furyl)methylen]-2-thioxo-1,3-thiazolidin-4-on [German] [ACD/IUPAC Name]
(5Z)-3-Allyl-5-[(5-phenyl-2-furyl)methylene]-2-thioxo-1,3-thiazolidin-4-one [ACD/IUPAC Name]
(5Z)-3-Allyl-5-[(5-phényl-2-furyl)méthylène]-2-thioxo-1,3-thiazolidin-4-one [French] [ACD/IUPAC Name]
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
4-Thiazolidinone, 5-[(5-phenyl-2-furanyl)methylene]-3-(2-propen-1-yl)-2-thioxo-, (5Z)- [ACD/Index Name]
851305-26-5 [RN]
8646IPJ1AP
LJ-001 [Wiki]
3-allyl-5-((5-phenylfuran-2-yl)methylene)-2-thioxothiazolidin-4-one
3-allyl-5-[(5-phenyl-2-furyl)methylene]-2-thioxo-4-thiazolidinone
More...

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

CBMicro_010675 [DBID]
ZINC01168117 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 477.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.5±31.5 °C
Index of Refraction: 1.705
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.92
ACD/KOC (pH 5.5): 1385.65
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.92
ACD/KOC (pH 7.4): 1385.65
Polar Surface Area: 91 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 238.9±5.0 cm3

Click to predict properties on the Chemicalize site





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