Basic information
- Standard SMILES
CCOC(=O)c1cc2ccc3c4ccccc4ccc3c2s1- InChIKey
NALWIKZWDNXMJN-UHFFFAOYSA-N- Molecular formula
- C19H14O2S
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.07145086
Names & identifiers
- Preferred name
- Ethyl phenanthro[1,2-b]thiophene-2-carboxylate
- IUPAC
- ethyl naphtho[1,2-g][1]benzothiole-2-carboxylate
Names & synonyms
SCHEMBL9537983NALWIKZWDNXMJN-UHFFFAOYSA-Nethyl phenanthro[1,2-b]thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 14770247
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
9 records
Compound notes
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