Found 364 results

Search term: MF = 'C_{14}H_{18}N_{2}O_{2}S_{3}'
ChemSpider 2D Image | 5-({2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}methyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine | C14H18N2O2S3

5-({2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}methyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine

  • Molecular FormulaC14H18N2O2S3
  • Average mass342.500 Da
  • Monoisotopic mass342.053040 Da
  • ChemSpider ID30261965

More details:

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

4H-Thieno[3,2-c]azepine, 5,6,7,8-tetrahydro-5-[[2-[(methylsulfonyl)methyl]-4-thiazolyl]methyl]- [ACD/Index Name]
5-({2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}methyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin [German] [ACD/IUPAC Name]
5-({2-[(Methylsulfonyl)methyl]-1,3-thiazol-4-yl}methyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine [ACD/IUPAC Name]
5-({2-[(Méthylsulfonyl)méthyl]-1,3-thiazol-4-yl}méthyl)-5,6,7,8-tétrahydro-4H-thiéno[3,2-c]azépine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 19.98
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.85
ACD/KOC (pH 7.4): 148.48
Polar Surface Area: 115 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

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