Methyl 3-(methylsulfanyl)naphthalene-2-carboxylate
Basic information
- CAS
89574-81-2- Standard SMILES
COC(=O)c1cc2ccccc2cc1SC- InChIKey
ZYFIQFHNZSYCRW-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- Methyl 3-(methylsulfanyl)naphthalene-2-carboxylate
- IUPAC
- methyl 3-methylsulfanylnaphthalene-2-carboxylate
Names & synonyms
89574-81-2Methyl 3-(methylsulfanyl)naphthalene-2-carboxylateSCHEMBL15766072DTXSID60535969
Database identifiers
- CAS
89574-81-2- PubChem CID
- 13304841
- DTXSID
DTXSID60535969
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
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Related reactions
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Compound notes
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