ChemSpider 2D Image | 1-{[2-Nitro-1-(pentylsulfanyl)vinyl]sulfanyl}pentane | C12H23NO2S2

1-{[2-Nitro-1-(pentylsulfanyl)vinyl]sulfanyl}pentane

  • Molecular FormulaC12H23NO2S2
  • Average mass277.447 Da
  • Monoisotopic mass277.117004 Da
  • ChemSpider ID28593089

More details:






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

1-{[2-Nitro-1-(pentylsulfanyl)vinyl]sulfanyl}pentan [German] [ACD/IUPAC Name]
1-{[2-Nitro-1-(pentylsulfanyl)vinyl]sulfanyl}pentane [ACD/IUPAC Name]
1-{[2-Nitro-1-(pentylsulfanyl)vinyl]sulfanyl}pentane [French] [ACD/IUPAC Name]
Pentane, 1,1'-[(2-nitroethenylidene)bis(thio)]bis- [ACD/Index Name]
1-{[2-NITRO-1-(PENTYLSULFANYL)ETHENYL]SULFANYL}PENTANE
511518-79-9 [RN]
PENTANE, 1,1'-[(NITROETHENYLIDENE)BIS(THIO)]BIS-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 370.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 178.1±26.5 °C
Index of Refraction: 1.522
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6214.23
ACD/KOC (pH 5.5): 18067.51
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6214.23
ACD/KOC (pH 7.4): 18067.51
Polar Surface Area: 96 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 260.8±3.0 cm3

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