97483-79-9 Purity
96%
If you have any other questions or need other size, please get a quote.
Specification
PubChem CID 88707047
The molecular formula is C16H24O5S.
The synonyms of the compound are 4-THP-BUTYLTOSYLATE, 97499-73-5, 4-(oxan-2-yloxy)butyl 4-methylbenzenesulfonate, and SCHEMBL11016658.
The molecular weight is 328.4 g/mol.
The IUPAC name is 4-(oxan-2-yloxy)butyl 4-methylbenzenesulfonate.
The InChI is InChI=1S/C16H24O5S/c1-14-7-9-15(10-8-14)22(17,18)21-13-5-4-12-20-16-6-2-3-11-19-16/h7-10,16H,2-6,11-13H2,1H3.
The InChIKey is AJNHWFXUFROOFB-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)OCCCCOC2CCCCO2.
The XLogP3-AA value is 3.
The compound has 5 hydrogen bond acceptor counts.