3-(Allylsulfanyl)-6-(2,4-dichlorobenzyl)pyridazine
Basic information
- CAS
241132-57-0- Standard SMILES
C=CCSc1ccc(Cc2ccc(Cl)cc2Cl)nn1- InChIKey
SHSMCYVCRYRNOD-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2N2S
- Average molar mass
- 311.2 g/mol
- Monoisotopic mass
- 310.009825
Names & identifiers
- Preferred name
- 3-(Allylsulfanyl)-6-(2,4-dichlorobenzyl)pyridazine
- IUPAC
- 3-[(2,4-dichlorophenyl)methyl]-6-prop-2-enylsulfanylpyridazine
- English name
- 3-(ALLYLSULFANYL)-6-(2,4-DICHLOROBENZYL)PYRIDAZINE
- Molecular formula
- C14H12Cl2N2S
- Molecular weight
- 311.23
Names & synonyms
3-(allylsulfanyl)-6-(2,4-dichlorobenzyl)pyridazine241132-57-03-[(2,4-dichlorophenyl)methyl]-6-prop-2-enylsulfanylpyridazineDTXSID401178080AKOS00507409210D-0813-[(2,4-Dichlorophenyl)methyl]-6-(2-propen-1-ylthio)pyridazine3-[(2,4-dichlorophenyl)methyl]-6-(prop-2-en-1-ylsulfanyl)pyridazine3-[(2,4-Dichlorophenyl)methyl]-6-[(prop-2-en-1-yl)sulfanyl]pyridazineALLYL 6-(2,4-DICHLOROBENZYL)-3-PYRIDAZINYL SULFIDEPyridazine, 3-[(2,4-dichlorophenyl)methyl]-6-(2-propen-1-ylthio)-
Database identifiers
- CAS
241132-57-0- PubChem CID
- 6409740
- DTXSID
DTXSID401178080
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
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Compound notes
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