Basic information
- CAS
3216-46-4- Standard SMILES
O=C1OCC2Cc3sccc3C(c3ccccc3)=C12- InChIKey
UJKSTKDOTCCTAS-UHFFFAOYSA-N- Molecular formula
- C16H12O2S
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.05580079
Names & identifiers
- Preferred name
- 4-Phenyl-7a,8-dihydrothieno(2,3-f)(2)benzofuran-5(7H)-one
- IUPAC
- 4-phenyl-7a,8-dihydro-7H-thieno[2,3-f][2]benzofuran-5-one
Names & synonyms
3216-46-44-Phenyl-7a,8-dihydrothieno(2,3-f)(2)benzofuran-5(7H)-oneNSC857334-Phenyl-7a,8-dihydrothieno[2,3-f]isobenzofuran-5(7H)-one4-phenyl-7a,8-dihydro-7H-thieno[2,3-f]isobenzofuran-5-one4-Phenyl-7a,8-dihydrothieno[2,3-f][2]benzofuran-5(7H)-oneNSC 85733NCIOpen2_004865NSC-85733AKOS015905224
Database identifiers
- CAS
3216-46-4- PubChem CID
- 257582
- Nikkaji
- J3.658.829B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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