Found 1 result

Search term: 147439-51-8 (Found by synonym)
ChemSpider 2D Image | 4',4'',4'''',4'''''-Tetrakis(methylsulfanyl)-2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2''''''-septipyridine | C39H31N7S4

4',4'',4'''',4'''''-Tetrakis(methylsulfanyl)-2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2''''''-septipyridine

  • Molecular FormulaC39H31N7S4
  • Average mass725.970 Da
  • Monoisotopic mass725.152344 Da
  • ChemSpider ID35518921

More details:

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

2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2''''''-Septipyridine, 4',4'',4'''',4'''''-tetrakis(methylthio)- [ACD/Index Name]
4',4'',4'''',4'''''-Tetrakis(methylsulfanyl)-2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2''''''-septipyridin [German] [ACD/IUPAC Name]
4',4'',4'''',4'''''-Tetrakis(methylsulfanyl)-2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2''''''-septipyridine [ACD/IUPAC Name]
4',4'',4'''',4'''''-Tétrakis(méthylsulfanyl)-2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2''''''-septipyridine [French] [ACD/IUPAC Name]
147439-51-8 [RN]
4',4'',4'''',4'''''-Tetrakis(methylthio)-2,2':6',2'':6'',2''':6''',2'''':6'''',2''''':6''''',2''''''-septipyridine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 883.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 488.3±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 210.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 7.58
ACD/BCF (pH 5.5): 341743.28
ACD/KOC (pH 5.5): 318021.97
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 342122.09
ACD/KOC (pH 7.4): 318374.50
Polar Surface Area: 191 Å2
Polarizability: 83.3±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 510.0±5.0 cm3

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