ChemSpider 2D Image | BISBUTIAMINE | C32H46N8O6S2

BISBUTIAMINE

  • Molecular FormulaC32H46N8O6S2
  • Average mass702.888 Da
  • Monoisotopic mass702.298157 Da
  • ChemSpider ID28529135

  • Double-bond stereo - Double-bond stereo

More details:

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

3286-45-1 [RN]
BISBUTIAMINE
Butanoic acid, dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] ester
Bisbutitiamine [JAN]
BISBUTYTIAMINE
Butanoic acid, dithiobis(3E)-3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl ester [ACD/Index Name]
Dibutanoate de disulfanediylbis(2E)-2-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-2-pentène-3,5-diyle [French] [ACD/IUPAC Name]
Disulfandiylbis(2E)-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-2-penten-3,5-diyl-dibutanoat [German] [ACD/IUPAC Name]
Disulfanediylbis(2E)-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-2-pentene-3,5-diyl dibutanoate [ACD/IUPAC Name]
dithiobis[3-[1-[[(4-amino-2-methylpyrimidin-5-yl)methyl]formylamino]ethylidene]propane-3,1-diyl] dibutyrate

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

217882Q07P [DBID]
UNII:217882Q07P [DBID]
UNII-217882Q07P [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 900.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 498.5±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 190.3±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 662.82
ACD/KOC (pH 5.5): 2575.52
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2193.04
ACD/KOC (pH 7.4): 8521.55
Polar Surface Area: 247 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 553.6±3.0 cm3

Click to predict properties on the Chemicalize site


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