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Search term: SHUMDCCWBNABDW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Hydroxypropyl 1-azocanecarbodithioate | C11H21NOS2

3-Hydroxypropyl 1-azocanecarbodithioate

  • Molecular FormulaC11H21NOS2
  • Average mass247.421 Da
  • Monoisotopic mass247.106461 Da
  • ChemSpider ID27420530

More details:

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

1(2H)-Azocinecarbodithioic acid, hexahydro-, 3-hydroxypropyl ester [ACD/Index Name]
1-Azocanecarbodithioate de 3-hydroxypropyle [French] [ACD/IUPAC Name]
3-Hydroxypropyl 1-azocanecarbodithioate [ACD/IUPAC Name]
3-Hydroxypropyl-1-azocancarbodithioat [German] [ACD/IUPAC Name]
3-HYDROXYPROPYL AZOCANE-1-CARBODITHIOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 382.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.9±6.0 kJ/mol
Flash Point: 184.9±28.4 °C
Index of Refraction: 1.570
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.33
ACD/KOC (pH 5.5): 499.46
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.33
ACD/KOC (pH 7.4): 499.48
Polar Surface Area: 81 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 216.6±3.0 cm3

Click to predict properties on the Chemicalize site


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