Found 21 results

Search term: MF = 'C_{5}H_{6}O_{2}S_{2}'
ChemSpider 2D Image | 3-Hydroxy-4-(sulfanylmethyl)-2(5H)-thiophenone | C5H6O2S2

3-Hydroxy-4-(sulfanylmethyl)-2(5H)-thiophenone

  • Molecular FormulaC5H6O2S2
  • Average mass162.230 Da
  • Monoisotopic mass161.980927 Da
  • ChemSpider ID57461040

More details:

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

2(5H)-Thiophenone, 3-hydroxy-4-(mercaptomethyl)- [ACD/Index Name]
3-Hydroxy-4-(sulfanylmethyl)-2(5H)-thiophenon [German] [ACD/IUPAC Name]
3-Hydroxy-4-(sulfanylmethyl)-2(5H)-thiophenone [ACD/IUPAC Name]
3-Hydroxy-4-(sulfanylméthyl)-2(5H)-thiophénone [French] [ACD/IUPAC Name]
3-Hydroxy-4-(sulfanylmethyl)thiophen-2(5H)-one
52987-70-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 364.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 174.2±27.9 °C
Index of Refraction: 1.689
Molar Refractivity: 40.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 78.42
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 74.74
Polar Surface Area: 101 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 106.1±3.0 cm3

Click to predict properties on the Chemicalize site


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