ChemSpider 2D Image | 1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[6-({2-[(2-nitrophenyl)amino]ethyl}disulfanyl)-3-pyridinyl]thiourea | C34H25N5O7S3

1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[6-({2-[(2-nitrophenyl)amino]ethyl}disulfanyl)-3-pyridinyl]thiourea

  • Molecular FormulaC34H25N5O7S3
  • Average mass711.787 Da
  • Monoisotopic mass711.091614 Da
  • ChemSpider ID2299990

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-[6-({2-[(2-nitrophenyl)amino]ethyl}disulfanyl)-3-pyridinyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[6-({2-[(2-nitrophenyl)amino]ethyl}disulfanyl)-3-pyridinyl]thiourea [ACD/IUPAC Name]
1-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)-3-[6-({2-[(2-nitrophényl)amino]éthyl}disulfanyl)-3-pyridinyl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-N'-[6-[[2-[(2-nitrophenyl)amino]ethyl]dithio]-3-pyridinyl]- [ACD/Index Name]
(2-Nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))
101613-93-8 [RN]
Farssalc
N-(3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)-N'-(6-((2-((2-nitrophenyl)amino)ethyl)dithio)-3-pyridinyl)thiourea
Thiourea, N-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)-N'-(6-((2-((2-nitrophenyl)amino)ethyl)dithio)-3-pyridinyl)-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 956.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.0±3.0 kJ/mol
Flash Point: 532.1±37.1 °C
Index of Refraction: 1.833
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31833.15
ACD/KOC (pH 5.5): 58172.54
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31531.32
ACD/KOC (pH 7.4): 57620.96
Polar Surface Area: 253 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 110.4±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

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