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Search term: YLQURFUIUHWJCJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-(6-Aminohexyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)thiourea | C27H27N3O5S

1-(6-Aminohexyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)thiourea

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID2301501

More details:






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

1-(6-Aminohexyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)thioharnstoff [German] [ACD/IUPAC Name]
1-(6-Aminohexyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)thiourea [ACD/IUPAC Name]
1-(6-Aminohexyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(6-aminohexyl)-N'-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl)- [ACD/Index Name]
3-(6-aminohexyl)-1-(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-yl)thiourea
3-(6-AMINOHEXYL)-1-{3',6'-DIHYDROXY-3-OXOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-YL}THIOUREA
4-(N-6-Aminohexylthioureal)fluorescein
4-N-6-Ahtuf
77228-88-7 [RN]
Thiourea, N-(6-aminohexyl)-N'-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-6-yl)-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 755.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 410.5±35.7 °C
Index of Refraction: 1.740
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 158 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 343.3±5.0 cm3

Click to predict properties on the Chemicalize site






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