ChemSpider 2D Image | 1-{(2E)-6-Amino-2-[(2,4-dinitrophenyl)imino]-1-hydroxyhexyl}-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)thiourea | C33H28N6O10S

1-{(2E)-6-Amino-2-[(2,4-dinitrophenyl)imino]-1-hydroxyhexyl}-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)thiourea

  • Molecular FormulaC33H28N6O10S
  • Average mass700.675 Da
  • Monoisotopic mass700.158752 Da
  • ChemSpider ID95696006

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{(2E)-6-Amino-2-[(2,4-dinitrophenyl)imino]-1-hydroxyhexyl}-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)thioharnstoff [German] [ACD/IUPAC Name]
1-{(2E)-6-Amino-2-[(2,4-dinitrophenyl)imino]-1-hydroxyhexyl}-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)thiourea [ACD/IUPAC Name]
1-{(2E)-6-Amino-2-[(2,4-dinitrophényl)imino]-1-hydroxyhexyl}-3-(3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[(2E)-6-amino-2-[(2,4-dinitrophenyl)imino]-1-hydroxyhexyl]-N'-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 937.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.8±3.0 kJ/mol
Flash Point: 520.5±37.1 °C
Index of Refraction: 1.756
Molar Refractivity: 175.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 12.30
Polar Surface Area: 282 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 74.9±7.0 dyne/cm
Molar Volume: 429.0±7.0 cm3

Click to predict properties on the Chemicalize site


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