Basic information
- CAS
62040-99-7- Standard SMILES
Cc1ccc(C=C2CSCC(=Cc3ccc(C)cc3)C2=O)cc1- InChIKey
ZUKCNQCIARMDLU-UHFFFAOYSA-N- Molecular formula
- C21H20OS
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.12348626
Names & identifiers
- Preferred name
- 3,5-Bis[(4-methylphenyl)methylidene]thian-4-one
- IUPAC
- 3,5-bis[(4-methylphenyl)methylidene]thian-4-one
Names & synonyms
3,5-Bis[(4-methylphenyl)methylidene]thian-4-one62040-99-7SCHEMBL11504407DTXSID60712253ZUKCNQCIARMDLU-UHFFFAOYSA-Ntetrahydro-3,5-bis-(4-methylphenylmethylene)-4H-thiopyran-4-one
Database identifiers
- CAS
62040-99-7- PubChem CID
- 54566804
- DTXSID
DTXSID60712253
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
3 records
Compound notes
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