ChemSpider 2D Image | 5-S-sec-Butyl-2,3-dideoxy-3-methyl-1-O-methyl-5-thiopentitol | C11H24O2S

5-S-sec-Butyl-2,3-dideoxy-3-methyl-1-O-methyl-5-thiopentitol

  • Molecular FormulaC11H24O2S
  • Average mass220.372 Da
  • Monoisotopic mass220.149704 Da
  • ChemSpider ID42735432

More details:






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

5-S-sec-Butyl-2,3-dideoxy-3-methyl-1-O-methyl-5-thiopentitol [ACD/IUPAC Name]
5-S-sec-Butyl-2,3-didesoxy-3-methyl-1-O-methyl-5-thiopentitol [German] [ACD/IUPAC Name]
5-S-sec-Butyl-2,3-didésoxy-3-méthyl-1-O-méthyl-5-thiopentitol [French] [ACD/IUPAC Name]
Pentitol, 2,3-dideoxy-3-methyl-1-O-methyl-5-S-(1-methylpropyl)-5-thio- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 314.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.4±6.0 kJ/mol
Flash Point: 143.8±25.1 °C
Index of Refraction: 1.472
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.23
ACD/KOC (pH 5.5): 630.52
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.23
ACD/KOC (pH 7.4): 630.52
Polar Surface Area: 55 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 229.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement