Basic information
- Standard SMILES
CCCCSc1ccccc1N- InChIKey
BIKPIFGPFVNIGE-UHFFFAOYSA-N- Molecular formula
- C10H15NS
- Average molar mass
- 181.3 g/mol
Names & identifiers
- Preferred name
- 2-Butylmercaptoaniline
- IUPAC
- 2-butylsulfanylaniline
Names & synonyms
2-butylthioaniline2-n-butylthioaniline2-ButylmercaptoanilineSCHEMBL425178SCHEMBL6513026BIKPIFGPFVNIGE-UHFFFAOYSA-NAKOS000168699
Database identifiers
- PubChem CID
- 10329960
- Nikkaji
- J2.032.777D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Related reactions
6 records
Compound notes
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