Basic information
- Standard SMILES
CCCCSc1ccc(CCN)cc1- InChIKey
RKRQOWVYVQXSKC-UHFFFAOYSA-N- Molecular formula
- C12H19NS
- Average molar mass
- 209.35 g/mol
Names & identifiers
- Preferred name
- 4-Butylthiophenethylamine
- IUPAC
- 2-(4-butylsulfanylphenyl)ethanamine
Names & synonyms
4-butylthiophenethylamineSCHEMBL9085335RKRQOWVYVQXSKC-UHFFFAOYSA-NAKOS013131762
Database identifiers
- PubChem CID
- 22407595
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 130
Related reactions
2 records
Compound notes
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