ChemSpider 2D Image | MFCD09867790 | C9H14O2S

MFCD09867790

  • Molecular FormulaC9H14O2S
  • Average mass186.271 Da
  • Monoisotopic mass186.071457 Da
  • ChemSpider ID22898586

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aR)-3a-Methyl-1,3,3a,4,7,7a-hexahydro-2-benzothiophen-2,2-dioxid [German] [ACD/IUPAC Name]
(3aS,7aR)-3a-Methyl-1,3,3a,4,7,7a-hexahydro-2-benzothiophene 2,2-dioxide [ACD/IUPAC Name]
2,2-Dioxyde de (3aS,7aR)-3a-méthyl-1,3,3a,4,7,7a-hexahydro-2-benzothiophène [French] [ACD/IUPAC Name]
Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-3a-methyl-, 2,2-dioxide, (3aS,7aR)- [ACD/Index Name]
MFCD09867790
61214-29-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 335.2±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 192.2±17.5 °C
Index of Refraction: 1.535
Molar Refractivity: 48.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 82.51
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 82.51
Polar Surface Area: 43 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 155.3±3.0 cm3

Click to predict properties on the Chemicalize site


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