methyl 2-pyridazin-3-ylsulfanylacetate

C7H8N2O2S — CID 91613746

IUPACmethyl 2-pyridazin-3-ylsulfanylacetate
SMILESCOC(=O)CSc1cccnn1
InChIInChI=1S/C7H8N2O2S/c1-11-7(10)5-12-6-3-2-4-8-9-6/h2-4H,5H2,1H3
InChIKeyNCSRLBAXCFYEGQ-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.74
Rot. Bonds3

About methyl 2-pyridazin-3-ylsulfanylacetate

methyl 2-pyridazin-3-ylsulfanylacetate (PubChem CID 91613746) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is methyl 2-pyridazin-3-ylsulfanylacetate.

Molecular Properties

Compound Namemethyl 2-pyridazin-3-ylsulfanylacetate
PubChem CID91613746
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Namemethyl 2-pyridazin-3-ylsulfanylacetate
SMILESCOC(=O)CSc1cccnn1
InChIInChI=1S/C7H8N2O2S/c1-11-7(10)5-12-6-3-2-4-8-9-6/h2-4H,5H2,1H3
InChIKeyNCSRLBAXCFYEGQ-UHFFFAOYSA-N
XLogP0.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridazin-3-ylsulfanylacetate?
The IUPAC name of methyl 2-pyridazin-3-ylsulfanylacetate (CID 91613746) is methyl 2-pyridazin-3-ylsulfanylacetate.
What is the SMILES notation for methyl 2-pyridazin-3-ylsulfanylacetate?
The canonical SMILES for methyl 2-pyridazin-3-ylsulfanylacetate is COC(=O)CSc1cccnn1.
What is the InChIKey of methyl 2-pyridazin-3-ylsulfanylacetate?
The InChIKey is NCSRLBAXCFYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-11-7(10)5-12-6-3-2-4-8-9-6/h2-4H,5H2,1H3.
What are the key properties of methyl 2-pyridazin-3-ylsulfanylacetate?
methyl 2-pyridazin-3-ylsulfanylacetate has a molecular weight of 184.22 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridazin-3-ylsulfanylacetate is sourced from PubChem (CID 91613746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).