Basic information
- Standard SMILES
Nc1cc(Cl)ccc1SCCc1ccccn1- InChIKey
ZIBOEBFCBDQDLL-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2S
- Average molar mass
- 264.77 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-((2-(pyridin-2-yl)ethyl)thio)aniline
- IUPAC
- 5-chloro-2-(2-pyridin-2-ylethylsulfanyl)aniline
Names & synonyms
1184066-86-1SCHEMBL9934935ZIBOEBFCBDQDLL-UHFFFAOYSA-NDA-375785-chloro-2-((2-(pyridin-2-yl)ethyl)thio)aniline
Database identifiers
- PubChem CID
- 60890510
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Related reactions
7 records
Compound notes
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