ChemSpider 2D Image | N-Acetyl-S-methyl-L-cysteine | C6H11NO3S

N-Acetyl-S-methyl-L-cysteine

  • Molecular FormulaC6H11NO3S
  • Average mass177.221 Da
  • Monoisotopic mass177.045959 Da
  • ChemSpider ID23977237

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-ACETAMIDO-3-(METHYLSULFANYL)PROPANOIC ACID
16637-59-5 [RN]
L-Cysteine, N-acetyl-S-methyl- [ACD/Index Name]
N-Acetyl-S-methyl-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-methyl-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-méthyl-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-acetamido-3-methylsulfanylpropanoic acid
(R)-2-(acetylamino)-3-(methylthio)propionic acid
(R)-2-Acetamido-3-(methylthio)propanoic acid
1279039-06-3 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 430.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 214.1±27.3 °C
Index of Refraction: 1.515
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 142.5±3.0 cm3

Click to predict properties on the Chemicalize site


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