ChemSpider 2D Image | 7-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one | C14H15N3O5S2

7-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC14H15N3O5S2
  • Average mass369.416 Da
  • Monoisotopic mass369.045319 Da
  • ChemSpider ID21475912

More details:

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

1(3H)-Isobenzofuranone, 7-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4,5,6-trimethoxy- [ACD/Index Name]
7-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
7-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
7-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}-4,5,6-triméthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
7-[(5-amino(1,3,4-thiadiazol-2-ylthio))methyl]-4,5,6-trimethoxy-3-hydroisobenzofuran-1-one
7-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-4,5,6-trimethoxy-1,3-dihydro-2-benzofuran-1-one
7-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl}-4,5,6-trimethoxy-2-benzofuran-1(3H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 526.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.2±28.2 °C
Index of Refraction: 1.663
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.75
ACD/KOC (pH 5.5): 136.47
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.76
ACD/KOC (pH 7.4): 136.61
Polar Surface Area: 159 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 242.0±5.0 cm3

Click to predict properties on the Chemicalize site


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