ChemSpider 2D Image | MFCD01823311 | C11H15NO2S

MFCD01823311

  • Molecular FormulaC11H15NO2S
  • Average mass225.307 Da
  • Monoisotopic mass225.082352 Da
  • ChemSpider ID21426859
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-amino-3-[(4-methylbenzyl)thio]propanoic acid
L-Cysteine, S-[(4-methylphenyl)methyl]- [ACD/Index Name]
MFCD01823311
S-(4-Methylbenzyl)-L-cystein [German] [ACD/IUPAC Name]
S-(4-Methylbenzyl)-L-cysteine [ACD/IUPAC Name]
S-(4-Méthylbenzyl)-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-AMINO-3-[(4-METHYLPHENYL)METHYLSULFANYL]PROPANOIC ACID
(2R)-2-AMINO-3-{[(4-METHYLPHENYL)METHYL]SULFANYL}PROPANOIC ACID
(R)-2-Amino-3-((4-methylbenzyl)thio)propanoic acid
(R)-2-Amino-3-(4-methyl-benzylsulfanyl)-propionic acid
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.4±27.9 °C
Index of Refraction: 1.599
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 184.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement