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

C10H7ClN2OS — CID 14009795

IUPAC3-(6-chloropyridazin-3-yl)sulfanylphenol
SMILESOc1cccc(Sc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H7ClN2OS/c11-9-4-5-10(13-12-9)15-8-3-1-2-7(14)6-8/h1-6,14H
InChIKeyXPMVFKQWQNFAEY-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.99
Rot. Bonds2

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

3-(6-chloropyridazin-3-yl)sulfanylphenol (PubChem CID 14009795) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)sulfanylphenol.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)sulfanylphenol
PubChem CID14009795
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name3-(6-chloropyridazin-3-yl)sulfanylphenol
SMILESOc1cccc(Sc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H7ClN2OS/c11-9-4-5-10(13-12-9)15-8-3-1-2-7(14)6-8/h1-6,14H
InChIKeyXPMVFKQWQNFAEY-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 3-(6-chloropyridazin-3-yl)sulfanylphenol?
The IUPAC name of 3-(6-chloropyridazin-3-yl)sulfanylphenol (CID 14009795) is 3-(6-chloropyridazin-3-yl)sulfanylphenol.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)sulfanylphenol?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)sulfanylphenol is Oc1cccc(Sc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)sulfanylphenol?
The InChIKey is XPMVFKQWQNFAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-9-4-5-10(13-12-9)15-8-3-1-2-7(14)6-8/h1-6,14H.
What are the key properties of 3-(6-chloropyridazin-3-yl)sulfanylphenol?
3-(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 3-(6-chloropyridazin-3-yl)sulfanylphenol is sourced from PubChem (CID 14009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).