ChemSpider 2D Image | (2R)-2-[(5Z)-5-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]succinic acid | C15H9BrN2O6S2

(2R)-2-[(5Z)-5-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]succinic acid

  • Molecular FormulaC15H9BrN2O6S2
  • Average mass457.276 Da
  • Monoisotopic mass455.908539 Da
  • ChemSpider ID25057870
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-[(5Z)-5-(5-Brom-2-oxo-1,2-dihydro-3H-indol-3-yliden)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]bernsteinsäure [German] [ACD/IUPAC Name]
(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
(2R)-2-[(5Z)-5-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]succinic acid [ACD/IUPAC Name]
Acide (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidène)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(5Z)-5-(5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-4-oxo-2-thioxo-3-thiazolidinyl]-, (2R)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.833
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 124.3±5.0 dyne/cm
Molar Volume: 221.9±5.0 cm3

Click to predict properties on the Chemicalize site






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