Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(SS(=O)(=O)c3ccc(C)cc3)c(C(C)(C)C)cc2[nH]1- InChIKey
BEEDWRXFPXFBNO-UHFFFAOYSA-N- Molecular formula
- C22H25NO4S2
- Average molar mass
- 431.6 g/mol
Names & identifiers
- Preferred name
- 6-tert-Butyl-5-(toluene-4-sulfonylsulfanyl)-1H-indole-2-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 6-tert-butyl-5-(4-methylphenyl)sulfonylsulfanyl-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL6302892BEEDWRXFPXFBNO-UHFFFAOYSA-N6-tert-Butyl-5-(toluene-4-sulfonylsulfanyl)-1H-indole-2-carboxylic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 53677415
- Nikkaji
- J1.315.033H
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 674
Related reactions
3 records
Compound notes
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