ChemSpider 2D Image | (1S)-1-Thiohexopyranose | C6H12O5S

(1S)-1-Thiohexopyranose

  • Molecular FormulaC6H12O5S
  • Average mass196.221 Da
  • Monoisotopic mass196.040543 Da
  • ChemSpider ID23190630
  • defined stereocentres - 1 of 5 defined stereocentres


More details:






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

(1S)-1-Thiohexopyranose [ACD/IUPAC Name]
(1S)-1-Thiohexopyranose [German] [ACD/IUPAC Name]
(1S)-1-Thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-thio-, (1S)- [ACD/Index Name]
(S)-2-Hydroxymethyl-6-mercapto-tetrahydro-pyran-3,4,5-triol
CHEMBL320846

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

Density: 1.6±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±6.0 kJ/mol
Flash Point: 215.5±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 43.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.77
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.67
Polar Surface Area: 129 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 82.1±5.0 dyne/cm
Molar Volume: 123.6±5.0 cm3

Click to predict properties on the Chemicalize site






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