ChemSpider 2D Image | N,N'-{Disulfanediylbis[(2Z)-5-hydroxy-2-pentene-3,2-diyl]}bis{N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide} | C24H32N6O6S2

N,N'-{Disulfanediylbis[(2Z)-5-hydroxy-2-pentene-3,2-diyl]}bis{N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide}

  • Molecular FormulaC24H32N6O6S2
  • Average mass564.677 Da
  • Monoisotopic mass564.182495 Da
  • ChemSpider ID2300155

  • Double-bond stereo - Double-bond stereo

More details:

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

Formamide, N,N'-[dithiobis[(Z)-2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]- [ACD/Index Name]
N,N'-{Disulfandiylbis[(2Z)-5-hydroxy-2-penten-3,2-diyl]}bis{N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamid} [German] [ACD/IUPAC Name]
N,N'-{Disulfanediylbis[(2Z)-5-hydroxy-2-pentene-3,2-diyl]}bis{N-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]formamide} [ACD/IUPAC Name]
N,N'-{Disulfanediylbis[(2Z)-5-hydroxy-2-pentène-3,2-diyl]}bis{N-[(2-méthyl-6-oxo-1,6-dihydro-5-pyrimidinyl)méthyl]formamide} [French] [ACD/IUPAC Name]
134028-70-9 [RN]
oxythiamine disulfide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 80.19
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 76.21
Polar Surface Area: 215 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 410.9±7.0 cm3

Click to predict properties on the Chemicalize site


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