ChemSpider 2D Image | 2-(1,2,5-Dithiazepan-5-yl)ethanethioamide | C6H12N2S3

2-(1,2,5-Dithiazepan-5-yl)ethanethioamide

  • Molecular FormulaC6H12N2S3
  • Average mass208.368 Da
  • Monoisotopic mass208.016251 Da
  • ChemSpider ID61367272

More details:

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

2-(1,2,5-Dithiazepan-5-yl)ethanethioamide [ACD/IUPAC Name]
2-(1,2,5-Dithiazépan-5-yl)éthanethioamide [French] [ACD/IUPAC Name]
2-(1,2,5-Dithiazepan-5-yl)ethanthioamid [German] [ACD/IUPAC Name]
5H-1,2,5-Dithiazepine-5-ethanethioamide, tetrahydro- [ACD/Index Name]
1871929-21-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 343.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.3±30.7 °C
Index of Refraction: 1.650
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 84.12
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 133.55
Polar Surface Area: 112 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 160.4±3.0 cm3

Click to predict properties on the Chemicalize site


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