Basic information
- Standard SMILES
CSc1ccc(C=C(C(C)=O)c2ccc(Br)cc2)cc1- InChIKey
MVTSXTWNDFRELC-UHFFFAOYSA-N- Molecular formula
- C17H15BrOS
- Average molar mass
- 347.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-4-(4-methylthiophenyl)-3-buten-2-one
- IUPAC
- 3-(4-bromophenyl)-4-(4-methylsulfanylphenyl)but-3-en-2-one
Names & synonyms
SCHEMBL6514407MVTSXTWNDFRELC-UHFFFAOYSA-N3-(4-Bromophenyl)-4-(4-methylthiophenyl)-3-buten-2-one
Database identifiers
- PubChem CID
- 54093935
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
4 records
Compound notes
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