Basic information
- Standard SMILES
O=Cc1cc2ccc3c4ccccc4ccc3c2s1- InChIKey
HUDQUCCLVXUEAH-UHFFFAOYSA-N- Molecular formula
- C17H10OS
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.04523611
Names & identifiers
- Preferred name
- Phenanthro[1,2-b]thiophene-2-carbaldehyde
- IUPAC
- naphtho[1,2-g][1]benzothiole-2-carbaldehyde
Names & synonyms
SCHEMBL9536471HUDQUCCLVXUEAH-UHFFFAOYSA-Nphenanthro[1,2-b]thiophene-2-carbaldehydephenanthro[1,2-b ]thiophene-2-carbaldehyde
Database identifiers
- PubChem CID
- 14770249
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
Related reactions
8 records
Compound notes
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