ChemSpider 2D Image | 2-[(5-Ethyl-1,3,4-thiadiazol-2-yl)(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]benzenesulfonic acid | C17H15N3O6S2

2-[(5-Ethyl-1,3,4-thiadiazol-2-yl)(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]benzenesulfonic acid

  • Molecular FormulaC17H15N3O6S2
  • Average mass421.448 Da
  • Monoisotopic mass421.040222 Da
  • ChemSpider ID28670406

More details:

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

2-[(5-Ethyl-1,3,4-thiadiazol-2-yl)(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]benzenesulfonic acid [ACD/IUPAC Name]
2-[(5-Ethyl-1,3,4-thiadiazol-2-yl)(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(5-éthyl-1,3,4-thiadiazol-2-yl)(6-méthoxy-3,4-dioxo-1,5-cyclohexadién-1-yl)amino]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]- [ACD/Index Name]
138833-52-0 [RN]
Benzenesulfonamide,N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(6-methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)amino]-

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 86.9±5.0 dyne/cm
Molar Volume: 262.9±5.0 cm3

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