3-[(4-Chlorobenzyl)sulfanyl]-6-methylpyridazine
Basic information
- CAS
5273-39-2- Standard SMILES
Cc1ccc(SCc2ccc(Cl)cc2)nn1- InChIKey
YETSWTJQHZBVMS-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2S
- Average molar mass
- 250.75 g/mol
- Monoisotopic mass
- 250.0331472
Names & identifiers
- Preferred name
- 3-[(4-Chlorobenzyl)sulfanyl]-6-methylpyridazine
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanyl]-6-methylpyridazine
Names & synonyms
3-[(4-chlorobenzyl)sulfanyl]-6-methylpyridazine5273-39-23-((4-Chlorobenzyl)thio)-6-methylpyridazineNSC66085DTXSID00290005NSC-660853-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-6-METHYLPYRIDAZINE
Database identifiers
- CAS
5273-39-2- PubChem CID
- 248682
- DTXSID
DTXSID00290005
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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