ethyl 2-pyridazin-3-ylsulfanylacetate

C8H10N2O2S — CID 91428259

IUPACethyl 2-pyridazin-3-ylsulfanylacetate
SMILESCCOC(=O)CSc1cccnn1
InChIInChI=1S/C8H10N2O2S/c1-2-12-8(11)6-13-7-4-3-5-9-10-7/h3-5H,2,6H2,1H3
InChIKeyNODWZRVVZSPCEM-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.13
Rot. Bonds4

About ethyl 2-pyridazin-3-ylsulfanylacetate

ethyl 2-pyridazin-3-ylsulfanylacetate (PubChem CID 91428259) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is ethyl 2-pyridazin-3-ylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-pyridazin-3-ylsulfanylacetate
PubChem CID91428259
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Nameethyl 2-pyridazin-3-ylsulfanylacetate
SMILESCCOC(=O)CSc1cccnn1
InChIInChI=1S/C8H10N2O2S/c1-2-12-8(11)6-13-7-4-3-5-9-10-7/h3-5H,2,6H2,1H3
InChIKeyNODWZRVVZSPCEM-UHFFFAOYSA-N
XLogP1.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridazin-3-ylsulfanylacetate?
The IUPAC name of ethyl 2-pyridazin-3-ylsulfanylacetate (CID 91428259) is ethyl 2-pyridazin-3-ylsulfanylacetate.
What is the SMILES notation for ethyl 2-pyridazin-3-ylsulfanylacetate?
The canonical SMILES for ethyl 2-pyridazin-3-ylsulfanylacetate is CCOC(=O)CSc1cccnn1.
What is the InChIKey of ethyl 2-pyridazin-3-ylsulfanylacetate?
The InChIKey is NODWZRVVZSPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-12-8(11)6-13-7-4-3-5-9-10-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-pyridazin-3-ylsulfanylacetate?
ethyl 2-pyridazin-3-ylsulfanylacetate has a molecular weight of 198.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridazin-3-ylsulfanylacetate is sourced from PubChem (CID 91428259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).