ChemSpider 2D Image | (6Z)-6-(4-Hydroxybenzylidene)-5-imino-3-(methylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | C13H10N4O4S2

(6Z)-6-(4-Hydroxybenzylidene)-5-imino-3-(methylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

  • Molecular FormulaC13H10N4O4S2
  • Average mass350.373 Da
  • Monoisotopic mass350.014343 Da
  • ChemSpider ID22951701

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-(4-Hydroxybenzyliden)-5-imino-3-(methylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-(4-Hydroxybenzylidene)-5-imino-3-(methylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-(4-Hydroxybenzylidène)-5-imino-3-(méthylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,4-Thiadiazolo[4,5-a]pyrimidin-7-one, 5,6-dihydro-6-[(4-hydroxyphenyl)methylene]-5-imino-3-(methylsulfonyl)-, (6Z)- [ACD/Index Name]
6-(4-Hydroxy-benzylidene)-5-imino-3-methanesulfonyl-5,6-dihydro-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 540.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 280.5±32.9 °C
Index of Refraction: 1.795
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.81
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.38
Polar Surface Area: 157 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 81.8±7.0 dyne/cm
Molar Volume: 201.9±7.0 cm3

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