Found 7 results

Search term: MF = 'C_{15}H_{16}IN_{3}O_{2}S_{2}'
ChemSpider 2D Image | 1-(4-Iodophenyl)-2-({5-[(tetrahydro-2-furanylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone | C15H16IN3O2S2

1-(4-Iodophenyl)-2-({5-[(tetrahydro-2-furanylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone

  • Molecular FormulaC15H16IN3O2S2
  • Average mass461.341 Da
  • Monoisotopic mass460.972839 Da
  • ChemSpider ID33202991

More details:

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

1-(4-Iodophenyl)-2-({5-[(tetrahydro-2-furanylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone [ACD/IUPAC Name]
1-(4-Iodophényl)-2-({5-[(tétrahydro-2-furanylméthyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)éthanone [French] [ACD/IUPAC Name]
1-(4-Iodphenyl)-2-({5-[(tetrahydro-2-furanylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-(4-iodophenyl)-2-[[5-[[(tetrahydro-2-furanyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 590.1±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.7±32.3 °C
Index of Refraction: 1.692
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 566.91
ACD/KOC (pH 5.5): 3255.04
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 566.96
ACD/KOC (pH 7.4): 3255.32
Polar Surface Area: 118 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 266.2±5.0 cm3

Click to predict properties on the Chemicalize site


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