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Search term: XCMDFDISEGQDQT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate | C6H8N2O2S

Methyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate

  • Molecular FormulaC6H8N2O2S
  • Average mass172.205 Da
  • Monoisotopic mass172.030655 Da
  • ChemSpider ID24686447

More details:

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

1H-Imidazole-1-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester [ACD/Index Name]
3-Méthyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate [ACD/IUPAC Name]
Methyl-3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-1-carboxylat [German] [ACD/IUPAC Name]
98134-95-3 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL444464/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 221.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 87.8±22.6 °C
Index of Refraction: 1.631
Molar Refractivity: 44.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.94
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.94
Polar Surface Area: 65 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 124.7±5.0 cm3

Click to predict properties on the Chemicalize site


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