ChemSpider 2D Image | 7-(2-Thienyl)-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-thiazepane | C15H21N3O2S3

7-(2-Thienyl)-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-thiazepane

  • Molecular FormulaC15H21N3O2S3
  • Average mass371.541 Da
  • Monoisotopic mass371.079590 Da
  • ChemSpider ID35005355

More details:

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

1,4-Thiazepine, hexahydro-7-(2-thienyl)-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]- [ACD/Index Name]
7-(2-Thienyl)-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-thiazepan [German] [ACD/IUPAC Name]
7-(2-Thienyl)-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-thiazepane [ACD/IUPAC Name]
7-(2-Thiényl)-4-[(1,3,5-triméthyl-1H-pyrazol-4-yl)sulfonyl]-1,4-thiazépane [French] [ACD/IUPAC Name]
1705247-58-0 [RN]
7-(thiophen-2-yl)-4-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)-1,4-thiazepane
7-(thiophen-2-yl)-4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-thiazepane

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.3±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.56
ACD/KOC (pH 5.5): 1242.07
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.56
ACD/KOC (pH 7.4): 1242.10
Polar Surface Area: 117 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 261.6±7.0 cm3

Click to predict properties on the Chemicalize site


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