ChemSpider 2D Image | (1,1-Dioxido-1,4-thiazepan-4-yl)(4-sulfanyl-2-thienyl)methanone | C10H13NO3S3

(1,1-Dioxido-1,4-thiazepan-4-yl)(4-sulfanyl-2-thienyl)methanone

  • Molecular FormulaC10H13NO3S3
  • Average mass291.410 Da
  • Monoisotopic mass291.005768 Da
  • ChemSpider ID56737757

More details:

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

(1,1-Dioxido-1,4-thiazepan-4-yl)(4-sulfanyl-2-thienyl)methanon [German] [ACD/IUPAC Name]
(1,1-Dioxido-1,4-thiazepan-4-yl)(4-sulfanyl-2-thienyl)methanone [ACD/IUPAC Name]
(1,1-Dioxydo-1,4-thiazépan-4-yl)(4-sulfanyl-2-thiényl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-mercapto-2-thienyl)(tetrahydro-1,1-dioxido-1,4-thiazepin-4(5H)-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 578.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.5±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 45.95
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
Polar Surface Area: 130 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 200.9±3.0 cm3

Click to predict properties on the Chemicalize site


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