ChemSpider 2D Image | {1-[(Phenylsulfanyl)methyl]cyclopropyl}acetic acid | C12H14O2S

{1-[(Phenylsulfanyl)methyl]cyclopropyl}acetic acid

  • Molecular FormulaC12H14O2S
  • Average mass222.303 Da
  • Monoisotopic mass222.071457 Da
  • ChemSpider ID30244874

More details:

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

{1-[(Phenylsulfanyl)methyl]cyclopropyl}acetic acid [ACD/IUPAC Name]
{1-[(Phenylsulfanyl)methyl]cyclopropyl}essigsäure [German] [ACD/IUPAC Name]
1489830-03-6 [RN]
2-{1-[(phenylsulfanyl)methyl]cyclopropyl}acetic acid
Acide {1-[(phénylsulfanyl)méthyl]cyclopropyl}acétique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, 1-[(phenylthio)methyl]- [ACD/Index Name]
2-(1-[(Phenylsulfanyl)methyl]cyclopropyl)acetic acid
MFCD21246099

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 190.6±20.4 °C
Index of Refraction: 1.611
Molar Refractivity: 62.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 17.47
ACD/KOC (pH 5.5): 158.34
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 63 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 179.0±5.0 cm3

Click to predict properties on the Chemicalize site


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