Basic information
- Standard SMILES
CC1(c2ccccc2)OC(CC(SCCCO)c2ccsc2)=CC1=O- InChIKey
XMNHMQAAIZZWJW-UHFFFAOYSA-N- Molecular formula
- C20H22O3S2
- Average molar mass
- 374.5 g/mol
Names & identifiers
- Preferred name
- 5-[2-[(3-hydroxypropyl)thio]-2-(3-thienyl)ethyl]-2-methyl-2-phenylfuran-3(2H)-one
- IUPAC
- 5-[2-(3-hydroxypropylsulfanyl)-2-thiophen-3-ylethyl]-2-methyl-2-phenylfuran-3-one
Names & synonyms
SCHEMBL6753483XMNHMQAAIZZWJW-UHFFFAOYSA-N5-[2-[(3-hydroxypropyl)thio]-2-(3-thienyl)ethyl]-2-methyl-2-phenylfuran-3(2H)-one
Database identifiers
- PubChem CID
- 10199435
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
2 records
Compound notes
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