3-Benzylidenethiochroman-4-one
3-benzylidenethiochromen-4-one
Also Known As: 3-benzylidenethiochroman-4-one|3-benzylidenethiochromen-4-one|4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(phenylmethylene)-|4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-(phenylmethylene)-, (E)-
CAS: 87604-68-0
| Molecular Formula | C16H12OS |
|---|---|
| Molecular Weight | 252.06088 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06088 |
| Monoisotopic Mass | 252.06088 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 87604-68-0 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3S1 |
| InChIKey | WQEPLGCJMWZKFO-UHFFFAOYSA-N |
Product Overview
3-Benzylidenethiochroman-4-one (CAS 87604-68-0), with molecular formula C16H12OS and molecular weight 252.06088 g/mol. IUPAC: 3-benzylidenethiochromen-4-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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