ChemSpider 2D Image | N-[(6-Hydroxy-1,4-dithiepan-6-yl)methyl]-2-(3-thienyl)acetamide | C12H17NO2S3

N-[(6-Hydroxy-1,4-dithiepan-6-yl)methyl]-2-(3-thienyl)acetamide

  • Molecular FormulaC12H17NO2S3
  • Average mass303.464 Da
  • Monoisotopic mass303.042145 Da
  • ChemSpider ID84450220

More details:

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

3-Thiopheneacetamide, N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]- [ACD/Index Name]
N-[(6-Hydroxy-1,4-dithiepan-6-yl)methyl]-2-(3-thienyl)acetamid [German] [ACD/IUPAC Name]
N-[(6-Hydroxy-1,4-dithiepan-6-yl)methyl]-2-(3-thienyl)acetamide [ACD/IUPAC Name]
N-[(6-Hydroxy-1,4-dithiépan-6-yl)méthyl]-2-(3-thiényl)acétamide [French] [ACD/IUPAC Name]
2415601-97-5 [RN]
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-(thiophen-3-yl)acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.6±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.52
ACD/KOC (pH 5.5): 292.01
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.52
ACD/KOC (pH 7.4): 292.01
Polar Surface Area: 128 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 228.8±3.0 cm3

Click to predict properties on the Chemicalize site


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