6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one

C9H14N2O3S — CID 105062265

IUPAC6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCOCCS)n1
InChIInChI=1S/C9H14N2O3S/c1-13-8-2-3-9(12)11(10-8)4-5-14-6-7-15/h2-3,15H,4-7H2,1H3
InChIKeyAQXMYRJOPFBOPS-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.20
Rot. Bonds6

About 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one

6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one (PubChem CID 105062265) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one
PubChem CID105062265
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one
SMILESCOc1ccc(=O)n(CCOCCS)n1
InChIInChI=1S/C9H14N2O3S/c1-13-8-2-3-9(12)11(10-8)4-5-14-6-7-15/h2-3,15H,4-7H2,1H3
InChIKeyAQXMYRJOPFBOPS-UHFFFAOYSA-N
XLogP0.20
TPSA53.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one (CID 105062265) is 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one is COc1ccc(=O)n(CCOCCS)n1.
What is the InChIKey of 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one?
The InChIKey is AQXMYRJOPFBOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-13-8-2-3-9(12)11(10-8)4-5-14-6-7-15/h2-3,15H,4-7H2,1H3.
What are the key properties of 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one?
6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one has a molecular weight of 230.29 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(2-sulfanylethoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 105062265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).