ChemSpider 2D Image | (Methylsulfonyl)methanethiol | C2H6O2S2

(Methylsulfonyl)methanethiol

  • Molecular FormulaC2H6O2S2
  • Average mass126.198 Da
  • Monoisotopic mass125.980919 Da
  • ChemSpider ID28706593

More details:

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

(Methylsulfonyl)methanethiol [ACD/IUPAC Name]
(Méthylsulfonyl)méthanethiol [French] [ACD/IUPAC Name]
(Methylsulfonyl)methanthiol [German] [ACD/IUPAC Name]
Methanethiol, 1-(methylsulfonyl)- [ACD/Index Name]
(Methanesulfonyl)methanethiol
89986-78-7 [RN]
METHANETHIOL, (METHYLSULFONYL)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 303.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 137.1±23.2 °C
Index of Refraction: 1.491
Molar Refractivity: 28.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.79
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 81 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 96.6±3.0 cm3

Click to predict properties on the Chemicalize site


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