2-(6-chloropyridazin-3-yl)sulfanylphenol

C10H7ClN2OS — CID 14009784

IUPAC2-(6-chloropyridazin-3-yl)sulfanylphenol
SMILESOc1ccccc1Sc1ccc(Cl)nn1
InChIInChI=1S/C10H7ClN2OS/c11-9-5-6-10(13-12-9)15-8-4-2-1-3-7(8)14/h1-6,14H
InChIKeyGWJOQEATNRFNJY-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.99
Rot. Bonds2

About 2-(6-chloropyridazin-3-yl)sulfanylphenol

2-(6-chloropyridazin-3-yl)sulfanylphenol (PubChem CID 14009784) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)sulfanylphenol.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)sulfanylphenol
PubChem CID14009784
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name2-(6-chloropyridazin-3-yl)sulfanylphenol
SMILESOc1ccccc1Sc1ccc(Cl)nn1
InChIInChI=1S/C10H7ClN2OS/c11-9-5-6-10(13-12-9)15-8-4-2-1-3-7(8)14/h1-6,14H
InChIKeyGWJOQEATNRFNJY-UHFFFAOYSA-N
XLogP2.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)sulfanylphenol?
The IUPAC name of 2-(6-chloropyridazin-3-yl)sulfanylphenol (CID 14009784) is 2-(6-chloropyridazin-3-yl)sulfanylphenol.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)sulfanylphenol?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)sulfanylphenol is Oc1ccccc1Sc1ccc(Cl)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)sulfanylphenol?
The InChIKey is GWJOQEATNRFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-9-5-6-10(13-12-9)15-8-4-2-1-3-7(8)14/h1-6,14H.
What are the key properties of 2-(6-chloropyridazin-3-yl)sulfanylphenol?
2-(6-chloropyridazin-3-yl)sulfanylphenol has a molecular weight of 238.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)sulfanylphenol is sourced from PubChem (CID 14009784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).