Phenyl 1-sulfanylnaphthalene-2-carboxylate
Basic information
- CAS
14814-89-2- Standard SMILES
O=C(Oc1ccccc1)c1ccc2ccccc2c1S- InChIKey
BUPMEXLVJQKPSW-UHFFFAOYSA-N- Molecular formula
- C17H12O2S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.05580079
Names & identifiers
- Preferred name
- Phenyl 1-sulfanylnaphthalene-2-carboxylate
- IUPAC
- phenyl 1-sulfanylnaphthalene-2-carboxylate
Names & synonyms
14814-89-2Phenyl 1-sulfanylnaphthalene-2-carboxylateDTXSID70933316
Database identifiers
- CAS
14814-89-2- PubChem CID
- 84659
- DTXSID
DTXSID70933316
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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