ChemSpider 2D Image | Thiamine Disulfide | C24H34N8O4S2

Thiamine Disulfide

  • Molecular FormulaC24H34N8O4S2
  • Average mass562.708 Da
  • Monoisotopic mass562.214417 Da
  • ChemSpider ID2342124

  • Double-bond stereo - Double-bond stereo

More details:

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

Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(1E)-2-[[(1Z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propen-1-yl]dithio]-4-hydroxy-1-methyl-1-buten-1-yl] - [ACD/Index Name]
N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[(2E)-3-{[(2Z)-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]disulfanyl}-5-hydroxy-2-penten-2-yl]formamid [German] [ACD/IUPAC Name]
N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[(2E)-3-{[(2Z)-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]disulfanyl}-5-hydroxy-2-penten-2-yl]formamide [ACD/IUPAC Name]
N-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-N-[(2E)-3-{[(2Z)-2-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-5-hydroxy-2-pentén-3-yl]disulfanyl}-5-hydroxy-2-pentén-2-yl]formamide [French] [ACD/IUPAC Name]
Thiamine Disulfide
[67-16-3] [RN]
202-712-9 [EINECS]
98-91-9 [RN]
Benzenecarbothioic S-acid [ACD/IUPAC Name]
DH6839000
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

    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

    Click to predict properties on the Chemicalize site


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