Basic information
- Standard SMILES
COCCn1c(=O)sc2ccc(B3OC(C)(C)C(C)(C)O3)cc21- InChIKey
UIFDTBVTYBXXOB-UHFFFAOYSA-N- Molecular formula
- C16H22BNO4S
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 335.1362595
Names & identifiers
- Preferred name
- 3-(2-Methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2(3H)-one
- IUPAC
- 3-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-one
Names & synonyms
SCHEMBL299220UIFDTBVTYBXXOB-UHFFFAOYSA-N3-(2-Methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2(3H)-one
Database identifiers
- PubChem CID
- 59568599
Properties
Computed structural properties
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Related reactions
2 records
Compound notes
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