Basic information
- Standard SMILES
O=S([O-])c1ccccc1- InChIKey
JEHKKBHWRAXMCH-UHFFFAOYSA-M- Molecular formula
- C6H5O2S-
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.00157398
Overview
Benzenesulfinate is an organosulfinate that is the conjugate base of benzenesulfinic acid obtained by deprotonation of the sulfinic acid group. It is a conjugate base of a benzenesulfinic acid.
Names & identifiers
- Preferred name
- Benzenesulfinate
- IUPAC
- benzenesulfinate
Names & synonyms
benzenesulfinateCHEBI:38100DTXSID50862453RefChem:1078623DTXCID501495738BENZENESULFONYLphenylsulfinatephenyl sulfinatePhenylsulfinsaurebenzenesulfinic acid anionSCHEMBL13707414SCHEMBL15668321
Show more names
SCHEMBL17004629SCHEMBL20720455JEHKKBHWRAXMCH-UHFFFAOYSA-MAKOS015890258AB00990983-01Q27104430
Database identifiers
- PubChem CID
- 3857574
- DTXSID
DTXSID50862453- ChEBI
CHEBI:38100- Nikkaji
- J525.204K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 102
Related reactions
63 records
Compound notes
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