ChemSpider 2D Image | 1-(1,3-Dithian-5-yl)-3-methylthiourea | C6H12N2S3

1-(1,3-Dithian-5-yl)-3-methylthiourea

  • Molecular FormulaC6H12N2S3
  • Average mass208.368 Da
  • Monoisotopic mass208.016251 Da
  • ChemSpider ID60810778

More details:

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

1-(1,3-Dithian-5-yl)-3-methylthioharnstoff [German] [ACD/IUPAC Name]
1-(1,3-Dithian-5-yl)-3-methylthiourea [ACD/IUPAC Name]
1-(1,3-Dithian-5-yl)-3-méthylthiourée [French] [ACD/IUPAC Name]
Thiourea, N-1,3-dithian-5-yl-N'-methyl- [ACD/Index Name]
95631-99-5 [RN]
MFCD24594656

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

Density: 1.3±0.1 g/cm3
Boiling Point: 331.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 154.5±30.7 °C
Index of Refraction: 1.653
Molar Refractivity: 58.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 84.58
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.46
ACD/KOC (pH 7.4): 84.58
Polar Surface Area: 107 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 159.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement