ChemSpider 2D Image | N-Methyl-1,2,5-dithiazepane-5-carbothioamide | C6H12N2S3

N-Methyl-1,2,5-dithiazepane-5-carbothioamide

  • Molecular FormulaC6H12N2S3
  • Average mass208.368 Da
  • Monoisotopic mass208.016251 Da
  • ChemSpider ID61114522

More details:

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

5H-1,2,5-Dithiazepine-5-carbothioamide, tetrahydro-N-methyl- [ACD/Index Name]
N-Methyl-1,2,5-dithiazepan-5-carbothioamid [German] [ACD/IUPAC Name]
N-Methyl-1,2,5-dithiazepane-5-carbothioamide [ACD/IUPAC Name]
N-Méthyl-1,2,5-dithiazépane-5-carbothioamide [French] [ACD/IUPAC Name]
1852028-13-7 [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: 313.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 143.1±28.7 °C
Index of Refraction: 1.640
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.83
ACD/KOC (pH 5.5): 122.99
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.83
ACD/KOC (pH 7.4): 123.00
Polar Surface Area: 98 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 162.1±3.0 cm3

Click to predict properties on the Chemicalize site


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