1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone
Basic information
- CAS
1452577-24-0- Standard SMILES
CC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)s1- InChIKey
YCNIPIQMCOSTLE-UHFFFAOYSA-N- Molecular formula
- C11H16BNO3S
- Average molar mass
- 253.13 g/mol
- Monoisotopic mass
- 253.0943947
Names & identifiers
- Preferred name
- 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone
- IUPAC
- 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone
- English name
- 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone
- Molecular formula
- C11H16BNO3S
- Molecular weight
- 253.13
Names & synonyms
1452577-24-01-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl)ethanoneMFCD220565342-Acetylthiazole-5-boronic acid pinacol ester1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl)ethan-1-oneethanone, 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiazolyl]-1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazol-2-yl]ethanoneDTXSID901151170ALBB-0183391-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiazolyl]ethanoneAKOS016000095
Show more names
CS-33729CS-01753461-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiazol-2-yl]-ethanone1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethan-1-one
Database identifiers
- CAS
1452577-24-0- PubChem CID
- 71299990
- DTXSID
DTXSID901151170
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 369.6 · 369.6±34.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- -0.1 · -0.10±0.10(Predicted)
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Compound notes
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