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ChemSpider 2D Image | 2-Imino-4-(methylsulfanyl)butanoic acid | C5H9NO2S

2-Imino-4-(methylsulfanyl)butanoic acid

  • Molecular FormulaC5H9NO2S
  • Average mass147.195 Da
  • Monoisotopic mass147.035400 Da
  • ChemSpider ID32990348

More details:






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

2-Imino-4-(methylsulfanyl)butanoic acid [ACD/IUPAC Name]
2-Imino-4-(methylsulfanyl)butansäure [German] [ACD/IUPAC Name]
Acide 2-imino-4-(méthylsulfanyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-imino-4-(methylthio)- [ACD/Index Name]
1314922-93-4 [RN]
MFCD19229505

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

Density: 1.3±0.1 g/cm3
Boiling Point: 267.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 115.8±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 36.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 117.8±7.0 cm3

Click to predict properties on the Chemicalize site






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