ChemSpider 2D Image | S,S-Propylthiocysteine | C6H13NOS2

S,S-Propylthiocysteine

  • Molecular FormulaC6H13NOS2
  • Average mass179.303 Da
  • Monoisotopic mass179.043854 Da
  • ChemSpider ID16744162

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-3-(propyldisulfanyl)propanal [ACD/IUPAC Name]
(2R)-2-Amino-3-(propyldisulfanyl)propanal [German] [ACD/IUPAC Name]
(2R)-2-Amino-3-(propyldisulfanyl)propanal [French] [ACD/IUPAC Name]
Propanal, 2-amino-3-(propyldithio)-, (2R)- [ACD/Index Name]
S,S-Propylthiocysteine

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

PH7 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 253.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 107.1±25.9 °C
Index of Refraction: 1.544
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 30.41
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.09
ACD/KOC (pH 7.4): 202.76
Polar Surface Area: 94 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

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