Basic information
- Standard SMILES
Cc1cc(C(=O)O)c(C)c2c1S(=O)(=O)CCC2(C)C- InChIKey
WDLNOVYPLKZDRS-UHFFFAOYSA-N- Molecular formula
- C14H18O4S
- Average molar mass
- 282.36 g/mol
Names & identifiers
- Preferred name
- 4,4,5,8-Tetramethylthiochroman-6-carboxylic acid-1,1-dioxide
- IUPAC
- 4,4,5,8-tetramethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carboxylic acid
Names & synonyms
SCHEMBL6725582WDLNOVYPLKZDRS-UHFFFAOYSA-N4,4,5,8-tetramethylthiochroman-6-carboxylic acid-1,1-dioxide
Database identifiers
- PubChem CID
- 15869804
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 474
Related reactions
8 records
Compound notes
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