5,7-di-tert-butyl-3-(4-methylthiophenyl)-3H-benzofuran-2-one

HCID 21577545
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Basic information

Standard SMILES
CSc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1
InChIKey
QRUFWSHBYCXXNT-UHFFFAOYSA-N
Molecular formula
C23H28O2S
Average molar mass
368.5 g/mol

Names & identifiers

Preferred name
5,7-di-tert-butyl-3-(4-methylthiophenyl)-3H-benzofuran-2-one
IUPAC
5,7-ditert-butyl-3-(4-methylsulfanylphenyl)-3H-1-benzofuran-2-one

Names & synonyms

SCHEMBL3956846QRUFWSHBYCXXNT-UHFFFAOYSA-N5,7-di-tert-butyl-3-(4-methylthiophenyl)-3H-benzofuran-2-one

Database identifiers

PubChem CID
21577545
Nikkaji
J2.003.890J

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26

Related reactions

6 records
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Compound notes

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