ChemSpider 2D Image | (E)-[(2-Chloroethyl)imino]methanethiol | C3H6ClNS

(E)-[(2-Chloroethyl)imino]methanethiol

  • Molecular FormulaC3H6ClNS
  • Average mass123.604 Da
  • Monoisotopic mass122.990944 Da
  • ChemSpider ID60959096

More details:

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

(E)-[(2-Chlorethyl)imino]methanthiol [German] [ACD/IUPAC Name]
(E)-[(2-Chloroethyl)imino]methanethiol [ACD/IUPAC Name]
(E)-[(2-Chloroéthyl)imino]méthanethiol [French] [ACD/IUPAC Name]
Methanimidothioic acid, (2-chloroethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 166.9±42.0 °C at 760 mmHg
Vapour Pressure: 2.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.7±3.0 kJ/mol
Flash Point: 54.8±27.9 °C
Index of Refraction: 1.521
Molar Refractivity: 31.3±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 51 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 33.5±7.0 dyne/cm
Molar Volume: 102.9±7.0 cm3

Click to predict properties on the Chemicalize site


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