[(Cyclopentylsulfonyl)methyl]benzene
Basic information
- CAS
14633-48-8- Standard SMILES
O=S(=O)(Cc1ccccc1)C1CCCC1- InChIKey
LNOUVIYTUVIVFS-UHFFFAOYSA-N- Molecular formula
- C12H16O2S
- Average molar mass
- 224.32 g/mol
- Monoisotopic mass
- 224.08710092
Names & identifiers
- Preferred name
- [(Cyclopentylsulfonyl)methyl]benzene
- IUPAC
- cyclopentylsulfonylmethylbenzene
Names & synonyms
14633-48-8[(cyclopentylsulfonyl)methyl]benzeneNSC140302Benzene,[(cyclopentylsulfonyl)methyl]-[(CYCLOPENTANESULFONYL)METHYL]BENZENESCHEMBL21234184DTXSID30300984NSC-140302DS-006690
Database identifiers
- CAS
14633-48-8- PubChem CID
- 284474
- DTXSID
DTXSID30300984- Nikkaji
- J3.267.153E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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