ChemSpider 2D Image | 1-(Isopropylsulfanyl)acetone | C6H12OS

1-(Isopropylsulfanyl)acetone

  • Molecular FormulaC6H12OS
  • Average mass132.224 Da
  • Monoisotopic mass132.060883 Da
  • ChemSpider ID15388633

More details:

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

1-(Isopropylsulfanyl)aceton [German] [ACD/IUPAC Name]
1-(Isopropylsulfanyl)acetone [ACD/IUPAC Name]
1-(Isopropylsulfanyl)acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-[(1-methylethyl)thio]- [ACD/Index Name]
1-(ISOPROPYLSULFANYL)PROPAN-2-ONE
1-(propan-2-ylsulfanyl)propan-2-one
112988-41-7 [RN]
1-propan-2-ylsulfanylpropan-2-one
2-Propanone, 1-[(1-methylethyl)thio]- (9CI)
2-Propanone,1-[(1-methylethyl)thio]-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 171.1±23.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.8±3.0 kJ/mol
Flash Point: 52.6±8.3 °C
Index of Refraction: 1.456
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.81
ACD/KOC (pH 5.5): 165.27
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.81
ACD/KOC (pH 7.4): 165.27
Polar Surface Area: 42 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 139.0±3.0 cm3

Click to predict properties on the Chemicalize site


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