ChemSpider 2D Image | Sulbutiamine | C32H46N8O6S2

Sulbutiamine

  • Molecular FormulaC32H46N8O6S2
  • Average mass702.888 Da
  • Monoisotopic mass702.298157 Da
  • ChemSpider ID21159814

More details:

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

221-937-3 [EINECS]
3286-46-2 [RN]
Bis(2-méthylpropanoate) de disulfanediylbis-2-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-2-pentène-3,5-diyle [French] [ACD/IUPAC Name]
Disulfandiylbis-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-2-penten-3,5-diyl-bis(2-methylpropanoat) [German] [ACD/IUPAC Name]
Disulfanediylbis-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-2-pentene-3,5-diyl bis(2-methylpropanoate) [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, dithiobis-3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl ester [ACD/Index Name]
Sulbutiamine [INN] [Wiki]
N,N'-bis-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N,N'-[2,5-bis-(2-isobutyryloxy-ethyl)-1,6-dimethyl-3,4-dithia-hexa-1,5-diene-1,6-diyl]-bis-formamide
Propanoic acid, 2-methyl-,dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 892.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 493.5±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 190.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 492.43
ACD/KOC (pH 5.5): 2211.87
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1323.15
ACD/KOC (pH 7.4): 5943.22
Polar Surface Area: 247 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 554.3±3.0 cm3

Click to predict properties on the Chemicalize site


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