Basic information
- Standard SMILES
Fc1ccc(CSC(=S)CCCc2ccccc2)cc1- InChIKey
IPSNWTBQDINBHC-UHFFFAOYSA-N- Molecular formula
- C17H17FS2
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- S-(4-Fluorobenzyl) 3-benzylthiopropionothioate
- IUPAC
- (4-fluorophenyl)methyl 4-phenylbutanedithioate
Names & synonyms
SCHEMBL11158194IPSNWTBQDINBHC-UHFFFAOYSA-NS-(4-Fluorobenzyl) 3-benzylthiopropionothioate
Database identifiers
- PubChem CID
- 57185058
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 279
Related reactions
2 records
Compound notes
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