ChemSpider 2D Image | 2-{(E)-[4-(Decyloxy)phenyl]diazenyl}-5-[4-(pentyloxy)phenyl]-1,3,4-thiadiazole | C29H40N4O2S

2-{(E)-[4-(Decyloxy)phenyl]diazenyl}-5-[4-(pentyloxy)phenyl]-1,3,4-thiadiazole

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID352726

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3,4-Thiadiazole, 2-[(E)-2-[4-(decyloxy)phenyl]diazenyl]-5-[4-(pentyloxy)phenyl]- [ACD/Index Name]
2-{(E)-[4-(Decyloxy)phenyl]diazenyl}-5-[4-(pentyloxy)phenyl]-1,3,4-thiadiazol [German] [ACD/IUPAC Name]
2-{(E)-[4-(Decyloxy)phenyl]diazenyl}-5-[4-(pentyloxy)phenyl]-1,3,4-thiadiazole [ACD/IUPAC Name]
2-{(E)-[4-(Décyloxy)phényl]diazényl}-5-[4-(pentyloxy)phényl]-1,3,4-thiadiazole [French] [ACD/IUPAC Name]

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

NCI60_037957 [DBID]
NSC706488 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 333.0±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 12.00
ACD/LogD (pH 5.5): 11.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.08
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 97 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 457.9±7.0 cm3

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