ChemSpider 2D Image | (1R,3R)-3-(Methylsulfonyl)cyclopentanethiol | C6H12O2S2

(1R,3R)-3-(Methylsulfonyl)cyclopentanethiol

  • Molecular FormulaC6H12O2S2
  • Average mass180.288 Da
  • Monoisotopic mass180.027863 Da
  • ChemSpider ID109117819

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3R)-3-(Methylsulfonyl)cyclopentanethiol [ACD/IUPAC Name]
(1R,3R)-3-(Méthylsulfonyl)cyclopentanethiol [French] [ACD/IUPAC Name]
(1R,3R)-3-(Methylsulfonyl)cyclopentanthiol [German] [ACD/IUPAC Name]
Cyclopentanethiol, 3-(methylsulfonyl)-, (1R,3R)- [ACD/Index Name]
2624108-52-5 [RN]
rac-(1R,3R)-3-methanesulfonylcyclopentane-1-thiol
rac-(1R,3R)-3-methanesulfonylcyclopentane-1-thiol, trans

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

Density: 1.2±0.1 g/cm3
Boiling Point: 354.1±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 167.9±24.8 °C
Index of Refraction: 1.525
Molar Refractivity: 44.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 49.71
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.58
Polar Surface Area: 81 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 144.8±5.0 cm3

Click to predict properties on the Chemicalize site


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