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2-Thiazole-4-boronic acid

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  • Name 2-Thiazole-4-boronic acid
  • EINECSN/A
  • CAS No. 1016642-07-1
  • Density1.437 g/cm3
  • PSA81.59000
  • LogP-1.17710
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC3H4BNO2S
  • Boiling Point335.347 °C at 760 mmHg
  • Molecular Weight128.947
  • Flash Point156.612 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1016642-07-1 (2-Thiazole-4-boronic acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

2-Thiazole-4-boronic acid Specification

The CAS registry number of 2-Thiazole-4-boronic acid is 1016642-07-1. The IUPAC name is thiazol-4-ylboronic acid. In addition, the molecular formula is C3H4BNO2S and the molecular weight is 128.9. It should be stored in a cool and dry place.

Physical properties about 2-Thiazole-4-boronic acid are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.263; (5)ACD/KOC (pH 7.4): 3.154; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 81.59 Å2; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 29.228 cm3; (12)Molar Volume: 89.766 cm3; (13)Polarizability: 11.587 ×10-24cm3; (14)Surface Tension: 62.237 dyne/cm; (15)Density: 1.437 g/cm3; (16)Flash Point: 156.612 °C; (17)Enthalpy of Vaporization: 61.049 kJ/mol; (18)Boiling Point: 335.347 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cscn1)(O)O
(2)InChI: InChI=1/C3H4BNO2S/c6-4(7)3-1-8-2-5-3/h1-2,6-7H
(3)InChIKey: WSTDOIHBEOVTHX-UHFFFAOYAX

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