Basic information
- Standard SMILES
SCCn1ccc2ccccc21- InChIKey
GBARRPFVSXVWQF-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
Names & identifiers
- Preferred name
- Indole-1-ethanethiol
- IUPAC
- 2-indol-1-ylethanethiol
Names & synonyms
indole-1-ethanethiolSCHEMBL11624661GBARRPFVSXVWQF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21389564
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 5.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Related reactions
4 records
Compound notes
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