ChemSpider 2D Image | alpha-Thioacetaldehyde | C6H12S3

α-Thioacetaldehyde

  • Molecular FormulaC6H12S3
  • Average mass180.355 Da
  • Monoisotopic mass180.010117 Da
  • ChemSpider ID28534086

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

α-Thioacetaldehyde
(2r)-2,4,6-Trimethyl-1,3,5-trithian [German] [ACD/IUPAC Name]
(2r)-2,4,6-Trimethyl-1,3,5-trithiane [ACD/IUPAC Name]
(2r)-2,4,6-Triméthyl-1,3,5-trithiane [French] [ACD/IUPAC Name]
?-trithioacetaldehyde
1,3,5-Trithiane, 2,4,6-trimethyl-, (2α,4α,6β)- [ACD/Index Name]
K8GLL4NEZI
thioacetaldehyde
Trithioacetaldehyde
2765-04-0 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 247.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 102.6±18.8 °C
Index of Refraction: 1.549
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 188.17
ACD/KOC (pH 5.5): 1478.17
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 188.17
ACD/KOC (pH 7.4): 1478.17
Polar Surface Area: 76 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 164.9±3.0 cm3

Click to predict properties on the Chemicalize site


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