ChemSpider 2D Image | 3-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-1-propanethiol | C9H18O2S2

3-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-1-propanethiol

  • Molecular FormulaC9H18O2S2
  • Average mass222.368 Da
  • Monoisotopic mass222.074814 Da
  • ChemSpider ID65717718

More details:

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

3-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-1-propanethiol [ACD/IUPAC Name]
3-(2,2-Dimethyl-1,1-dioxidotetrahydro-3-thiophenyl)-1-propanthiol [German] [ACD/IUPAC Name]
3-(2,2-Diméthyl-1,1-dioxydotétrahydro-3-thiophényl)-1-propanethiol [French] [ACD/IUPAC Name]
3-Thiophenepropanethiol, tetrahydro-2,2-dimethyl-, 1,1-dioxide [ACD/Index Name]
2,2-dimethyl-3-(3-sulfanylpropyl)-1λ6-thiolane-1,1-dione
2228575-75-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 371.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 178.3±20.4 °C
Index of Refraction: 1.490
Molar Refractivity: 58.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.34
ACD/KOC (pH 5.5): 197.94
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.33
ACD/KOC (pH 7.4): 197.73
Polar Surface Area: 81 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 201.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement