ChemSpider 2D Image | N-Acetyl-S-(3-chloro-2-propen-1-yl)cysteine | C8H12ClNO3S

N-Acetyl-S-(3-chloro-2-propen-1-yl)cysteine

  • Molecular FormulaC8H12ClNO3S
  • Average mass237.704 Da
  • Monoisotopic mass237.022644 Da
  • ChemSpider ID23352624

More details:

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

Cysteine, N-acetyl-S-(3-chloro-2-propen-1-yl)- [ACD/Index Name]
N-Acetyl-S-(3-chlor-2-propen-1-yl)cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(3-chloro-2-propen-1-yl)cysteine [ACD/IUPAC Name]
N-Acétyl-S-(3-chloro-2-propén-1-yl)cystéine [French] [ACD/IUPAC Name]
N-Acetyl-S-(3-chloroprop-2-en-1-yl)cysteine
72072-41-4 [RN]
N-acetyl-S-(3-chloroprop-2-enyl)cysteine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 248.9±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 180.5±3.0 cm3

Click to predict properties on the Chemicalize site


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