ChemSpider 2D Image | Thiamine disulfide (JAN) | C24H34N8O4S2

Thiamine disulfide (JAN)

  • Molecular FormulaC24H34N8O4S2
  • Average mass562.708 Da
  • Monoisotopic mass562.214417 Da
  • ChemSpider ID2301699

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

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

200-644-4 [EINECS]
67-16-3 [RN]
AKTIVIN
Aneurine Disulfide
Formamide, N,N'-[dithiobis[(Z)-2-(2-hydroxyethyl)-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]- [ACD/Index Name]
N,N'-{Disulfandiylbis[(2Z)-5-hydroxy-2-penten-3,2-diyl]}bis{N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamid} [German] [ACD/IUPAC Name]
N,N'-{Disulfanediylbis[(2Z)-5-hydroxy-2-pentene-3,2-diyl]}bis{N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide} [ACD/IUPAC Name]
N,N'-{Disulfanediylbis[(2Z)-5-hydroxy-2-pentène-3,2-diyl]}bis{N-[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]formamide} [French] [ACD/IUPAC Name]
N,N'-{Disulfanediylbis[(2Z)-5-hydroxypent-2-ene-3,2-diyl]}bis{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide}
Thiamine Disulfide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D03299 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 886.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.9±3.0 kJ/mol
Flash Point: 489.7±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 30.77
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.51
ACD/KOC (pH 7.4): 172.69
Polar Surface Area: 235 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 409.6±3.0 cm3

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