ChemSpider 2D Image | 5-(3-Isothiocyanato-1-propyn-1-yl)-2-thiophenecarbothioamide | C9H6N2S3

5-(3-Isothiocyanato-1-propyn-1-yl)-2-thiophenecarbothioamide

  • Molecular FormulaC9H6N2S3
  • Average mass238.352 Da
  • Monoisotopic mass237.969315 Da
  • ChemSpider ID91804716

More details:

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

2-Thiophenecarbothioamide, 5-(3-isothiocyanato-1-propyn-1-yl)- [ACD/Index Name]
5-(3-Isothiocyanato-1-propin-1-yl)-2-thiophencarbothioamid [German] [ACD/IUPAC Name]
5-(3-Isothiocyanato-1-propyn-1-yl)-2-thiophenecarbothioamide [ACD/IUPAC Name]
5-(3-Isothiocyanato-1-propyn-1-yl)-2-thiophènecarbothioamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 441.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.0±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.27
ACD/KOC (pH 5.5): 1578.59
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.27
ACD/KOC (pH 7.4): 1578.65
Polar Surface Area: 131 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 182.3±7.0 cm3

Click to predict properties on the Chemicalize site


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