2-pyridazin-3-ylsulfanylquinoline

C13H9N3S — CID 150538693

IUPAC2-pyridazin-3-ylsulfanylquinoline
SMILESc1cnnc(Sc2ccc3ccccc3n2)c1
InChIInChI=1S/C13H9N3S/c1-2-5-11-10(4-1)7-8-12(15-11)17-13-6-3-9-14-16-13/h1-9H
InChIKeyIFKBOAXKNSJHBF-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.18
Rot. Bonds2

About 2-pyridazin-3-ylsulfanylquinoline

2-pyridazin-3-ylsulfanylquinoline (PubChem CID 150538693) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-pyridazin-3-ylsulfanylquinoline.

Molecular Properties

Compound Name2-pyridazin-3-ylsulfanylquinoline
PubChem CID150538693
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name2-pyridazin-3-ylsulfanylquinoline
SMILESc1cnnc(Sc2ccc3ccccc3n2)c1
InChIInChI=1S/C13H9N3S/c1-2-5-11-10(4-1)7-8-12(15-11)17-13-6-3-9-14-16-13/h1-9H
InChIKeyIFKBOAXKNSJHBF-UHFFFAOYSA-N
XLogP3.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methylsulfanylquinoline
CID 123701465
cinnoline;hydroiodide
CID 174664707
cyclodeca[c]pyridazine
CID 68549169
cinnoline;hydrochloride
CID 175461371
2-quinolin-2-ylsulfanylacetamide
CID 2056006
2-benzhydrylsulfanylquinoline
CID 39765800
2-(pyridin-2-ylmethylsulfanyl)quinoline
CID 19850809
2-(2-phenylethenylsulfanyl)quinoline
CID 4204565
3-methyl-2-quinolin-2-ylsulfanylcyclohex-2-en-1-one
CID 101184028
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
quinoline
CID 76974643
3-(trideuteriomethylsulfanyl)pyridazine
CID 175705098

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-ylsulfanylquinoline?
The IUPAC name of 2-pyridazin-3-ylsulfanylquinoline (CID 150538693) is 2-pyridazin-3-ylsulfanylquinoline.
What is the SMILES notation for 2-pyridazin-3-ylsulfanylquinoline?
The canonical SMILES for 2-pyridazin-3-ylsulfanylquinoline is c1cnnc(Sc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-pyridazin-3-ylsulfanylquinoline?
The InChIKey is IFKBOAXKNSJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-2-5-11-10(4-1)7-8-12(15-11)17-13-6-3-9-14-16-13/h1-9H.
What are the key properties of 2-pyridazin-3-ylsulfanylquinoline?
2-pyridazin-3-ylsulfanylquinoline has a molecular weight of 239.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-ylsulfanylquinoline is sourced from PubChem (CID 150538693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).