5-{[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]}-methyl-2-thioxo-4-thiazolidinone

HCID 21252020
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Basic information

Standard SMILES
CN1C(=O)C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S
InChIKey
BIWFXMFWOAEPTN-UHFFFAOYSA-N
Molecular formula
C18H25NO2S2
Average molar mass
351.5 g/mol

Names & identifiers

Preferred name
5-{[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]}-methyl-2-thioxo-4-thiazolidinone
IUPAC
5-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Names & synonyms

SCHEMBL7958748BIWFXMFWOAEPTN-UHFFFAOYSA-N5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]}-methyl-2-thioxo-4-thiazolidinone

Database identifiers

PubChem CID
21252020

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
97.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

Related reactions

1 records
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Compound notes

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