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ChemSpider 2D Image | 2-(Ethylthio)ethanol | C4H10OS


  • Molecular FormulaC4H10OS
  • Average mass106.187 Da
  • Monoisotopic mass106.045235 Da
  • ChemSpider ID21159459

More details:

Featured data source

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

110-77-0 [RN]
2-(Ethylsulfanyl)ethanol [ACD/IUPAC Name]
2-(Ethylsulfanyl)ethanol [German] [ACD/IUPAC Name]
2-(Éthylsulfanyl)éthanol [French] [ACD/IUPAC Name]
203-802-0 [EINECS]
Ethanol, 2-(ethylthio)- [ACD/Index Name]
Q2S2 [WLN]

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

6091RQ1378 [DBID]
MFCD00002909 [DBID]
BRN 1731373 [DBID]
HSDB 5541 [DBID]
NSC 57105 [DBID]
NSC57105 [DBID]
UNII:6091RQ1378 [DBID]
UNII-6091RQ1378 [DBID]
ZERO/005717 [DBID]
ZINC01687820 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 184.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.7 mmHg at 25°C
Enthalpy of Vaporization: 49.0±6.0 kJ/mol
Flash Point: 88.8±18.5 °C
Index of Refraction: 1.480
Molar Refractivity: 30.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.44
ACD/KOC (pH 5.5): 84.33
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.44
ACD/KOC (pH 7.4): 84.33
Polar Surface Area: 46 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 106.0±3.0 cm3

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