1-(Methylsulfonyl)-5-(methylthio)naphthalene
Basic information
- CAS
54616-10-3- Standard SMILES
CSc1cccc2c(S(C)(=O)=O)cccc12- InChIKey
SXXDWSKVAICVPK-UHFFFAOYSA-N- Molecular formula
- C12H12O2S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.02787197
Names & identifiers
- Preferred name
- 1-(Methylsulfonyl)-5-(methylthio)naphthalene
- IUPAC
- 1-methylsulfanyl-5-methylsulfonylnaphthalene
Names & synonyms
1-(METHYLSULFONYL)-5-(METHYLTHIO)NAPHTHALENE54616-10-3DTXSID302030471-(Methanesulfonyl)-5-(methylsulfanyl)naphthalene
Database identifiers
- CAS
54616-10-3- PubChem CID
- 41135
- DTXSID
DTXSID30203047- Nikkaji
- J1.617.917E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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