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ChemSpider 2D Image | {1-[(Allylsulfanyl)methyl]cyclopropyl}acetic acid | C9H14O2S

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

  • Molecular FormulaC9H14O2S
  • Average mass186.271 Da
  • Monoisotopic mass186.071457 Da
  • ChemSpider ID26635167

More details:

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

{1-[(Allylsulfanyl)methyl]cyclopropyl}acetic acid [ACD/IUPAC Name]
{1-[(Allylsulfanyl)methyl]cyclopropyl}essigsäure [German] [ACD/IUPAC Name]
1001907-54-5 [RN]
2-{1-[(prop-2-en-1-ylsulfanyl)methyl]cyclopropyl}acetic acid
Acide {1-[(allylsulfanyl)méthyl]cyclopropyl}acétique [French] [ACD/IUPAC Name]
Cyclopropaneacetic acid, 1-[(2-propen-1-ylthio)methyl]- [ACD/Index Name]
(1-{[(Prop-2-en-1-yl)sulfanyl]methyl}cyclopropyl)acetic acid
2-(1-(Allylthiomethyl)cyclopropyl)acetic acid
MFCD17012827

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

Density: 1.1±0.1 g/cm3
Boiling Point: 322.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 148.6±20.4 °C
Index of Refraction: 1.535
Molar Refractivity: 50.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 4.16
ACD/KOC (pH 5.5): 56.74
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 163.5±3.0 cm3

Click to predict properties on the Chemicalize site


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