ChemSpider 2D Image | 1,5,3-Dithiazepan-3-ylacetic acid | C6H11NO2S2

1,5,3-Dithiazepan-3-ylacetic acid

  • Molecular FormulaC6H11NO2S2
  • Average mass193.287 Da
  • Monoisotopic mass193.023117 Da
  • ChemSpider ID61979165

More details:

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

1,5,3-Dithiazepan-3-ylacetic acid [ACD/IUPAC Name]
1,5,3-Dithiazepan-3-ylessigsäure [German] [ACD/IUPAC Name]
1966944-38-6 [RN]
2-(1,5,3-dithiazepan-3-yl)acetic acid
2H-1,5,3-Dithiazepine-3(4H)-acetic acid, dihydro- [ACD/Index Name]
Acide 1,5,3-dithiazépan-3-ylacétique [French] [ACD/IUPAC Name]
MFCD30345192

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

Density: 1.3±0.1 g/cm3
Boiling Point: 380.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.0±6.0 kJ/mol
Flash Point: 183.9±27.9 °C
Index of Refraction: 1.587
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 146.4±3.0 cm3

Click to predict properties on the Chemicalize site


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