S-(9-oxofluoren-3-yl) ethanethioate
Basic information
- CAS
22010-70-4- Standard SMILES
CC(=O)Sc1ccc2c(c1)-c1ccccc1C2=O- InChIKey
HJEWSYZGMOFVBJ-UHFFFAOYSA-N- Molecular formula
- C15H10O2S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.04015073
Names & identifiers
- Preferred name
- S-(9-oxofluoren-3-yl) ethanethioate
- IUPAC
- S-(9-oxofluoren-3-yl) ethanethioate
Names & synonyms
22010-70-4S-(9-oxofluoren-3-yl) ethanethioates-(9-oxo-9h-fluoren-3-yl) ethanethioateNSC109646DTXSID60296508NSC-109646
Database identifiers
- CAS
22010-70-4- PubChem CID
- 269097
- DTXSID
DTXSID60296508
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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