5-[2-[(4-hydroxybutyl)thio]-2-(3-thienyl)ethyl]-2-methyl-2-phenylfuran-3(2H)-one

HCID 10110854
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Basic information

Standard SMILES
CC1(c2ccccc2)OC(CC(SCCCCO)c2ccsc2)=CC1=O
InChIKey
MFIJZKCWYXBMMD-UHFFFAOYSA-N
Molecular formula
C21H24O3S2
Average molar mass
388.5 g/mol

Names & identifiers

Preferred name
5-[2-[(4-hydroxybutyl)thio]-2-(3-thienyl)ethyl]-2-methyl-2-phenylfuran-3(2H)-one
IUPAC
5-[2-(4-hydroxybutylsulfanyl)-2-thiophen-3-ylethyl]-2-methyl-2-phenylfuran-3-one

Names & synonyms

SCHEMBL6753511MFIJZKCWYXBMMD-UHFFFAOYSA-N5-[2-[(4-hydroxybutyl)thio]-2-(3-thienyl)ethyl]-2-methyl-2-phenylfuran-3(2H)-one

Database identifiers

PubChem CID
10110854

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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