Basic information
- Standard SMILES
O=Cc1ccc2c(c1)Sc1ccccc1O2- InChIKey
NRPVHSBFVSBZMI-UHFFFAOYSA-N- Molecular formula
- C13H8O2S
- Average molar mass
- 228.27 g/mol
Names & identifiers
- Preferred name
- 2-Formylphenoxathin
- IUPAC
- phenoxathiine-2-carbaldehyde
Names & synonyms
2-Formylphenoxathinphenoxathiin-2-aldehyde2-Phenoxathiincarboxaldehyde2-Phenoxathiincarbaldehyde #SCHEMBL11557550
Database identifiers
- PubChem CID
- 615047
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
4 records
Compound notes
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