ChemSpider 2D Image | (6Z)-6-({5-[(2-Furylmethyl)sulfanyl]-2-furyl}methylene)-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | C19H18N4O5S3

(6Z)-6-({5-[(2-Furylmethyl)sulfanyl]-2-furyl}methylene)-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

  • Molecular FormulaC19H18N4O5S3
  • Average mass478.565 Da
  • Monoisotopic mass478.043915 Da
  • ChemSpider ID22958031

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z)-6-({5-[(2-Furylmethyl)sulfanyl]-2-furyl}methylen)-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6Z)-6-({5-[(2-Furylmethyl)sulfanyl]-2-furyl}methylene)-5-imino-3-(isobutylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one [ACD/IUPAC Name]
(6Z)-6-({5-[(2-Furylméthyl)sulfanyl]-2-furyl}méthylène)-5-imino-3-(isobutylsulfonyl)-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, 6-[[5-[(2-furanylmethyl)thio]-2-furanyl]methylene]-5,6-dihydro-5-imino-3-[(2-methylpropyl)sulfonyl]-, (6Z)- [ACD/Index Name]
6-[5-(Furan-2-ylmethylsulfanyl)-furan-2-ylmethylene]-5-imino-3-(2-methyl-propane-1-sulfonyl)-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: 1.6±0.1 g/cm3
Boiling Point: 609.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.1±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 120.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.32
ACD/KOC (pH 5.5): 245.46
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.32
ACD/KOC (pH 7.4): 245.46
Polar Surface Area: 188 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 299.0±7.0 cm3

Click to predict properties on the Chemicalize site


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