Benzyl 4-methylbenzenesulfinate
Basic information
- CAS
13146-13-9- Standard SMILES
Cc1ccc(S(=O)OCc2ccccc2)cc1- InChIKey
RRVUSQWGYOTGGP-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- Benzyl 4-methylbenzenesulfinate
- IUPAC
- benzyl 4-methylbenzenesulfinate
Names & synonyms
benzyl 4-methylbenzenesulfinate13146-13-9DTXSID80302392RefChem:328512DTXCID70253526benzyl 4-methylbenzene-1-sulfinateNSC1508021-methyl-4-phenylmethoxysulfinyl-benzenebenzyl p-toluenesulfinateAKOS005066975NSC-150802
Database identifiers
- CAS
13146-13-9- PubChem CID
- 289145
- DTXSID
DTXSID80302392- Nikkaji
- J1.060.029D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
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Related reactions
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Compound notes
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