Basic information
- CAS
17447-59-5- Standard SMILES
Cc1ccc(S(=O)OC(c2ccccc2)c2ccccc2)cc1- InChIKey
JMTJPCZXIPDWNM-UHFFFAOYSA-N- Molecular formula
- C20H18O2S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.10275099
Names & identifiers
- Preferred name
- Benzhydryl 4-methylbenzenesulfinate
- IUPAC
- benzhydryl 4-methylbenzenesulfinate
Names & synonyms
benzhydryl 4-methylbenzenesulfinate17447-59-5DTXSID00302394RefChem:325724DTXCID90253528NSC150804diphenylmethyl 4-methylbenzene-1-sulfinateSCHEMBL10872948NSC-150804
Database identifiers
- CAS
17447-59-5- PubChem CID
- 289147
- DTXSID
DTXSID00302394- Nikkaji
- J3.585.017A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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