1,5-Bis(methylsulfonyl)naphthalene
Basic information
- CAS
53135-94-7- Standard SMILES
CS(=O)(=O)c1cccc2c(S(C)(=O)=O)cccc12- InChIKey
SMIUELFYZKUNTP-UHFFFAOYSA-N- Molecular formula
- C12H12O4S2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.01770121
Names & identifiers
- Preferred name
- 1,5-Bis(methylsulfonyl)naphthalene
- IUPAC
- 1,5-bis(methylsulfonyl)naphthalene
Names & synonyms
1,5-BIS(METHYLSULFONYL)NAPHTHALENE53135-94-7SCHEMBL13165739DTXSID202012191,5-Di(methanesulfonyl)naphthalene
Database identifiers
- CAS
53135-94-7- PubChem CID
- 40625
- DTXSID
DTXSID20201219- Nikkaji
- J1.621.266K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 447
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Compound notes
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