Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCSCC2C(=O)O)cc1- InChIKey
SXDPPADZILPFLK-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S2
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Methylphenyl)sulfonylthiomorpholine-3-carboxylic acid
- IUPAC
- 4-(4-methylphenyl)sulfonylthiomorpholine-3-carboxylic acid
Names & synonyms
AKOS005362724
Database identifiers
- PubChem CID
- 54857202
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 424
Related reactions
10 records
Compound notes
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