ChemSpider 2D Image | MFCD18429433 | C18H15ClN2O3S3

MFCD18429433

  • Molecular FormulaC18H15ClN2O3S3
  • Average mass438.971 Da
  • Monoisotopic mass437.993317 Da
  • ChemSpider ID71081039

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-({(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylethanoyl}amino)-3-sulfanylpropanoic acid
L-Cysteine, N-[(2R)-2-[(5-chloro-2-benzothiazolyl)thio]-2-phenylacetyl]- [ACD/Index Name]
MFCD18429433
N-{(2R)-2-[(5-Chlor-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetyl}-L-cystein [German] [ACD/IUPAC Name]
N-{(2R)-2-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetyl}-L-cysteine [ACD/IUPAC Name]
N-{(2R)-2-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phénylacétyl}-L-cystéine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.81
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 287.7±5.0 cm3

Click to predict properties on the Chemicalize site


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