ChemSpider 2D Image | S-Methyl-N-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-L-cysteine | C16H21NO5S2

S-Methyl-N-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-L-cysteine

  • Molecular FormulaC16H21NO5S2
  • Average mass371.472 Da
  • Monoisotopic mass371.086121 Da
  • ChemSpider ID52608431

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Cysteine, S-methyl-N-[[1-[4-(methylsulfonyl)phenyl]cyclobutyl]carbonyl]- [ACD/Index Name]
S-Methyl-N-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-L-cystein [German] [ACD/IUPAC Name]
S-Methyl-N-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-L-cysteine [ACD/IUPAC Name]
S-Méthyl-N-({1-[4-(méthylsulfonyl)phényl]cyclobutyl}carbonyl)-L-cystéine [French] [ACD/IUPAC Name]
(2R)-2-{[1-(4-METHANESULFONYLPHENYL)CYCLOBUTYL]FORMAMIDO}-3-(METHYLSULFANYL)PROPANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.0±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 273.9±3.0 cm3

Click to predict properties on the Chemicalize site


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