Basic information
- Standard SMILES
CCOC(=O)c1cc2cc(S)c(C(C)(C)C)cc2[nH]1- InChIKey
UDLJOQLZXWQKAF-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S
- Average molar mass
- 277.4 g/mol
Names & identifiers
- Preferred name
- 6-tert-Butyl-5-mercapto-1H-indole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 6-tert-butyl-5-sulfanyl-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL6302965UDLJOQLZXWQKAF-UHFFFAOYSA-N6-tert-Butyl-5-mercapto-1H-indole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69736019
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
5 records
Compound notes
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