4-(6-methylpyridazin-3-yl)sulfanylphenol

C11H10N2OS — CID 61313322

IUPAC4-(6-methylpyridazin-3-yl)sulfanylphenol
SMILESCc1ccc(Sc2ccc(O)cc2)nn1
InChIInChI=1S/C11H10N2OS/c1-8-2-7-11(13-12-8)15-10-5-3-9(14)4-6-10/h2-7,14H,1H3
InChIKeyAQZNBCRBOYLTJH-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.64
Rot. Bonds2

About 4-(6-methylpyridazin-3-yl)sulfanylphenol

4-(6-methylpyridazin-3-yl)sulfanylphenol (PubChem CID 61313322) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)sulfanylphenol.

Molecular Properties

Compound Name4-(6-methylpyridazin-3-yl)sulfanylphenol
PubChem CID61313322
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name4-(6-methylpyridazin-3-yl)sulfanylphenol
SMILESCc1ccc(Sc2ccc(O)cc2)nn1
InChIInChI=1S/C11H10N2OS/c1-8-2-7-11(13-12-8)15-10-5-3-9(14)4-6-10/h2-7,14H,1H3
InChIKeyAQZNBCRBOYLTJH-UHFFFAOYSA-N
XLogP2.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazin-3-yl)sulfanylphenol?
The IUPAC name of 4-(6-methylpyridazin-3-yl)sulfanylphenol (CID 61313322) is 4-(6-methylpyridazin-3-yl)sulfanylphenol.
What is the SMILES notation for 4-(6-methylpyridazin-3-yl)sulfanylphenol?
The canonical SMILES for 4-(6-methylpyridazin-3-yl)sulfanylphenol is Cc1ccc(Sc2ccc(O)cc2)nn1.
What is the InChIKey of 4-(6-methylpyridazin-3-yl)sulfanylphenol?
The InChIKey is AQZNBCRBOYLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-8-2-7-11(13-12-8)15-10-5-3-9(14)4-6-10/h2-7,14H,1H3.
What are the key properties of 4-(6-methylpyridazin-3-yl)sulfanylphenol?
4-(6-methylpyridazin-3-yl)sulfanylphenol has a molecular weight of 218.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazin-3-yl)sulfanylphenol is sourced from PubChem (CID 61313322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).