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2-Ethyl-4,5-dimethylthiazole

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  • Name 2-Ethyl-4,5-dimethylthiazole
  • EINECSN/A
  • CAS No. 873-64-3
  • Density1.027 g/cm3
  • PSA41.13000
  • LogP2.32230
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H11NS
  • Boiling Point203.1 °C at 760 mmHg
  • Molecular Weight141.237
  • Flash Point74.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 873-64-3 (2-ETHYL-4,5-DIMETHYL-1,3-THIAZOLE)
  • Hazard SymbolsN/A
  • SynonymsN/A

2-Ethyl-4,5-dimethylthiazole Specification

The 2-Ethyl-4,5-dimethylthiazole with the CAS number 873-64-3 is also called Thiazole,2-ethyl-4,5-dimethyl-. The systematic name is 2-ethyl-4,5-dimethyl-1,3-thiazole. Its molecular formula is C7H11NS. This chemical belongs to the following product categories: (1)Heterocyclic Compounds; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Thiazoles.

The properties of the 2-Ethyl-4,5-dimethylthiazole are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 47.31; (6)ACD/BCF (pH 7.4): 51.28; (7)ACD/KOC (pH 5.5): 537.66; (8)ACD/KOC (pH 7.4): 582.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 41.92 cm3; (15)Molar Volume: 137.5 cm3; (16)Polarizability: 16.62×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Enthalpy of Vaporization: 42.14 kJ/mol; (19)Vapour Pressure: 0.402 mmHg at 25°C.

Uses: This chemical can prepare 2-ethyl-4,5-dimethyl-thiazole 3-oxide and 2-ethyl-4,5-dimethyl-thiazole 1,1,3-trioxide. This reaction needs reagent HOF*CH3CN  and solvent CH2Cl2. The yield is 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(sc1CC)C)C
(2)InChI: InChI=1/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
(3)InChIKey: BVOKJOZBJOWZNJ-UHFFFAOYAM

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