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CHEBI:231897 - 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide

ChEBI IDCHEBI:231897
ChEBI Name4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide
Stars
DefinitionA member of the class of thiomorpholines that is benzene substituted by (1,1-dioxidothiomorpholin-4-yl)methyl and 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl groups at positions 1 and 4, respectively.
Last Modified4 September 2024
SubmitterAdnan
DownloadsMolfile
FormulaC17H26BNO4S
Net Charge0
Average Mass351.277
Monoisotopic Mass351.16756
SMILESCC1(C)OB(c2ccc(CN3CCS(=O)(=O)CC3)cc2)OC1(C)C
InChIInChI=1S/C17H26BNO4S/c1-16(2)17(3,4)23-18(22-16)15-7-5-14(6-8-15)13-19-9-11-24(20,21)12-10-19/h5-8H,9-13H2,1-4H3
InChIKeyPZWLWAYUUJLSJL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide (CHEBI:231897) is a benzenes (CHEBI:22712)
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide (CHEBI:231897) is a boronate ester (CHEBI:50979)
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide (CHEBI:231897) is a sulfone (CHEBI:35850)
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide (CHEBI:231897) is a thiomorpholines (CHEBI:36393)
IUPAC Name 
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxide
Synonyms  Source
4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1λ6-thiomorpholine-1,1-dioneIUPAC
4-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]thiomorpholine 1,1-dioxideChEBI
Registry NumbersSources
Reaxys:18771112Reaxys
CAS:1092563-25-1ChEBI