Basic information
- Standard SMILES
CC(C)(N)CSc1ccc(Cl)nn1- InChIKey
OLNCAXNQBFXZRI-UHFFFAOYSA-N- Molecular formula
- C8H12ClN3S
- Average molar mass
- 217.72 g/mol
- Monoisotopic mass
- 217.0440463
Names & identifiers
- Preferred name
- 3-(2-Amino-2-methylpropylthio)-6-chloropyridazine
- IUPAC
- 1-(6-chloropyridazin-3-yl)sulfanyl-2-methylpropan-2-amine
Names & synonyms
SCHEMBL10803990OLNCAXNQBFXZRI-UHFFFAOYSA-N3-(2-amino-2-methylpropylthio)-6-chloropyridazine
Database identifiers
- PubChem CID
- 10465952
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
4 records
Compound notes
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