ChemSpider 2D Image | O-(6-Hydroxyhexyl) S-methyl sulfurothioate | C7H16O4S2

O-(6-Hydroxyhexyl) S-methyl sulfurothioate

  • Molecular FormulaC7H16O4S2
  • Average mass228.329 Da
  • Monoisotopic mass228.048996 Da
  • ChemSpider ID31046573

More details:

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

O-(6-Hydroxyhexyl) S-methyl sulfurothioate [ACD/IUPAC Name]
O-(6-Hydroxyhexyl)-S-methylsulfurothioat [German] [ACD/IUPAC Name]
Sulfurothioate de O-(6-hydroxyhexyle) et de S-méthyle [French] [ACD/IUPAC Name]
Thiosulfuric acid (H2S2O3), O-(6-hydroxyhexyl) S-methyl ester [ACD/Index Name]
({[(6-HYDROXYHEXYL)OXY]SULFONYL}SULFANYL)METHANE
{[(6-HYDROXYHEXYL)OXYSULFONYL]SULFANYL}METHANE
212261-98-8 [RN]
6-Hydroxyhexyl Methanethiosulfonate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 354.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 168.2±28.4 °C
Index of Refraction: 1.508
Molar Refractivity: 54.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.83
ACD/KOC (pH 5.5): 137.73
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.83
ACD/KOC (pH 7.4): 137.73
Polar Surface Area: 97 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 183.0±3.0 cm3

Click to predict properties on the Chemicalize site


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