CHEMBL4454335
(3Z,5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-3-(2,2,2-trifluoro-1-hydroxyethylidene)thiolane-2,4-dione
Molecular Identity
CHEMBL4454335
(3Z,5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-3-(2,2,2-trifluoro-1-hydroxyethylidene)thiolane-2,4-dione
PubChem CID: 135566671
TLH is a member of tetrahydrothiophenes.
2D Structure
Properties
C12H11F3O3S
Molecular Formula
292.28
Molecular Weight
g/mol
292.0381
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
79.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
517
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(8)
CHEMBL4454335(5r)-5-Methyl-5-[(1e)-2-Methylbuta-1,3-Dienyl]-4-Oxidanyl-3-[2,2,2-Tris(Fluoranyl)ethanoyl]thiophen-2-OneTLH4c73CHEBI:228439BDBM50532306(3Z,5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-3-(2,2,2-triluoro-1-hydroxyethylidene)thiolane-2,4-dione(5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-(trifluoroacetyl)thiophen-2(5H)-one
Data from PubChem (NCBI)
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Trials and conditions connected to CHEMBL4454335
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