3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine

C12H11ClN2S — CID 104514303

IUPAC3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine
SMILESCc1ccc(SCc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2S/c1-9-2-5-11(6-3-9)16-8-10-4-7-12(13)15-14-10/h2-7H,8H2,1H3
InChIKeyPXZUZYHYEVAMJI-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.73
Rot. Bonds3

About 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine

3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine (PubChem CID 104514303) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine
PubChem CID104514303
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine
SMILESCc1ccc(SCc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H11ClN2S/c1-9-2-5-11(6-3-9)16-8-10-4-7-12(13)15-14-10/h2-7H,8H2,1H3
InChIKeyPXZUZYHYEVAMJI-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-6-phenylpyridazine
CID 88515
3-(Benzylsulfanyl)-6-(2,4-dichlorobenzyl)pyridazine
CID 2764752
3-(Ethylthio)-6-(p-tolyl)pyridazine
CID 7205978
3-Benzyl-6-chloropyridazine
CID 6404535
3-((2,4-Dichlorophenyl)methyl)-6-(methylthio)pyridazine
CID 6409742
3-[(4-Chlorophenyl)sulfanyl]-6-phenyl-4-pyridazinecarbonitrile
CID 6404488
4-Chloro-6-[(4-chlorophenyl)sulfanyl]-3-phenylpyridazine
CID 6404752
3-((4-Chlorobenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 16019293
4-Chloro-6-[(4-fluorophenyl)sulfanyl]-3-phenylpyridazine
CID 6404754
3-((3-Chlorobenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 16019291
6-Chloro-4-methyl-3-phenylpyridazine
CID 6409790
6-Chloro-3-methyl-4-phenylpyridazine
CID 13735309

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine?
The IUPAC name of 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine (CID 104514303) is 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine is Cc1ccc(SCc2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine?
The InChIKey is PXZUZYHYEVAMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c1-9-2-5-11(6-3-9)16-8-10-4-7-12(13)15-14-10/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine?
3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine has a molecular weight of 250.75 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(4-methylphenyl)sulfanylmethyl]pyridazine is sourced from PubChem (CID 104514303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).