ChemSpider 2D Image | S-(Hydroxymethyl) ethanethioate | C3H6O2S

S-(Hydroxymethyl) ethanethioate

  • Molecular FormulaC3H6O2S
  • Average mass106.144 Da
  • Monoisotopic mass106.008850 Da
  • ChemSpider ID35767640

More details:






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

Éthanethioate de S-(hydroxyméthyle) [French] [ACD/IUPAC Name]
Ethanethioic acid, S-(hydroxymethyl) ester [ACD/Index Name]
S-(Hydroxymethyl) ethanethioate [ACD/IUPAC Name]
S-(Hydroxymethyl)-ethanthioat [German] [ACD/IUPAC Name]
51930-26-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 166.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.7 mmHg at 25°C
Enthalpy of Vaporization: 46.9±6.0 kJ/mol
Flash Point: 54.5±22.6 °C
Index of Refraction: 1.501
Molar Refractivity: 25.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.30
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.30
Polar Surface Area: 63 Å2
Polarizability: 10.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 86.7±3.0 cm3

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