Basic information
- Standard SMILES
Nc1ccc(Sc2cccc3cnccc23)cc1N- InChIKey
YRJWGNYSTFYZTF-UHFFFAOYSA-N- Molecular formula
- C15H13N3S
- Average molar mass
- 267.4 g/mol
Names & identifiers
- Preferred name
- 4-(5-Isoquinolylsulfanyl)-1,2-benzenediamine
- IUPAC
- 4-isoquinolin-5-ylsulfanylbenzene-1,2-diamine
Names & synonyms
SCHEMBL6958264YRJWGNYSTFYZTF-UHFFFAOYSA-N4-(5-Isoquinolylsulfanyl)-1,2-benzenediamine
Database identifiers
- PubChem CID
- 15435689
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
1 records
Compound notes
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