[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol

C12H12N2O2S — CID 63648722

IUPAC[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol
SMILESCSc1ccccc1Oc1ccc(CO)nn1
InChIInChI=1S/C12H12N2O2S/c1-17-11-5-3-2-4-10(11)16-12-7-6-9(8-15)13-14-12/h2-7,15H,8H2,1H3
InChIKeySMKDVDQFKLJDED-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.48
Rot. Bonds4

About [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol

[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol (PubChem CID 63648722) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol
PubChem CID63648722
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol
SMILESCSc1ccccc1Oc1ccc(CO)nn1
InChIInChI=1S/C12H12N2O2S/c1-17-11-5-3-2-4-10(11)16-12-7-6-9(8-15)13-14-12/h2-7,15H,8H2,1H3
InChIKeySMKDVDQFKLJDED-UHFFFAOYSA-N
XLogP2.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol (CID 63648722) is [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol is CSc1ccccc1Oc1ccc(CO)nn1.
What is the InChIKey of [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol?
The InChIKey is SMKDVDQFKLJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-17-11-5-3-2-4-10(11)16-12-7-6-9(8-15)13-14-12/h2-7,15H,8H2,1H3.
What are the key properties of [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol?
[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol has a molecular weight of 248.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 63648722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).