ChemSpider 2D Image | 1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[4-(oxoacetyl)phenyl]thiourea | C29H18N2O7S

1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[4-(oxoacetyl)phenyl]thiourea

  • Molecular FormulaC29H18N2O7S
  • Average mass538.527 Da
  • Monoisotopic mass538.083496 Da
  • ChemSpider ID2338783

More details:

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

1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[4-(2-oxoacétyl)phényl]thiourée [French] [ACD/IUPAC Name]
1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[4-(oxoacetyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[4-(oxoacetyl)phenyl]thiourea [ACD/IUPAC Name]
Thiourea, N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-N'-[4-(1,2-dioxoethyl)phenyl]- [ACD/Index Name]
116843-39-1 [RN]
3-{3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-YL}-1-[4-(2-OXOACETYL)PHENYL]THIOUREA
3-{3',6'-DIHYDROXY-3-OXOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-YL}-1-[4-(2-OXOACETYL)PHENYL]THIOUREA
Fitc-PG
Fluorescein isothiocyanate-phenylglyoxal
N-(3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5(or 6)-yl)-N"-(4-(oxoacetyl)phenyl)thiourea
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 796.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 435.7±35.7 °C
Index of Refraction: 1.813
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.64
ACD/KOC (pH 5.5): 1325.78
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.08
ACD/KOC (pH 7.4): 1312.96
Polar Surface Area: 166 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 105.2±5.0 dyne/cm
Molar Volume: 327.0±5.0 cm3

Click to predict properties on the Chemicalize site


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