2-[(2-Hydroxyethyl)thio]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Basic information
- CAS
736991-88-1- Standard SMILES
CC1(C)OB(c2ccc(C(=O)CSCCO)cc2)OC1(C)C- InChIKey
AQAJHLYGCBBJMA-UHFFFAOYSA-N- Molecular formula
- C16H23BO4S
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 322.1410106
Names & identifiers
- Preferred name
- 2-[(2-Hydroxyethyl)thio]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
- IUPAC
- 2-(2-hydroxyethylsulfanyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Names & synonyms
SCHEMBL6226835DTXSID5011223092-[(2-Hydroxyethyl)sulfanyl]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one2-[(2-hydroxyethyl)thio]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone736991-88-1
Database identifiers
- CAS
736991-88-1- PubChem CID
- 69712372
- DTXSID
DTXSID501122309
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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