5-ethylsulfinyl-2-methylpyridazin-3-one

C7H10N2O2S — CID 14223003

IUPAC5-ethylsulfinyl-2-methylpyridazin-3-one
SMILESCCS(=O)c1cnn(C)c(=O)c1
InChIInChI=1S/C7H10N2O2S/c1-3-12(11)6-4-7(10)9(2)8-5-6/h4-5H,3H2,1-2H3
InChIKeyIBWKVDGUGQLZJO-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.09
Rot. Bonds2

About 5-ethylsulfinyl-2-methylpyridazin-3-one

5-ethylsulfinyl-2-methylpyridazin-3-one (PubChem CID 14223003) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-ethylsulfinyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-ethylsulfinyl-2-methylpyridazin-3-one
PubChem CID14223003
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-ethylsulfinyl-2-methylpyridazin-3-one
SMILESCCS(=O)c1cnn(C)c(=O)c1
InChIInChI=1S/C7H10N2O2S/c1-3-12(11)6-4-7(10)9(2)8-5-6/h4-5H,3H2,1-2H3
InChIKeyIBWKVDGUGQLZJO-UHFFFAOYSA-N
XLogP-0.09
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one
CID 57014562
2-Methyl-5-methylsulfanylpyridazin-3-one
CID 155091789
1-Methyl-6-oxopyridazine-4-sulfonyl chloride
CID 172614333
2,4-Dimethyl-5-methylsulfinylpyridazin-3-one
CID 174800707
3(2H)-Pyridazinone, 5-(ethylsulfonyl)-2-methyl-
CID 10943542
4-(ethylsulfonyl)-2-methylpyridazin-3(2H)-one
CID 13896257
4-Ethylsulfinyl-2-methylpyridazin-3-one
CID 13896258
5-Ethylsulfanyl-2-methylpyridazin-3-one
CID 13896261
5-Ethylsulfinyl-2,4-dimethylpyridazin-3-one
CID 14223004
5-Iodo-2-(2-propan-2-ylsulfonylethyl)pyridazin-3-one
CID 106728616
5-Iodo-2-(2-propylsulfonylethyl)pyridazin-3-one
CID 106728617
2-(2-Tert-butylsulfonylethyl)-5-iodopyridazin-3-one
CID 106728618

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfinyl-2-methylpyridazin-3-one?
The IUPAC name of 5-ethylsulfinyl-2-methylpyridazin-3-one (CID 14223003) is 5-ethylsulfinyl-2-methylpyridazin-3-one.
What is the SMILES notation for 5-ethylsulfinyl-2-methylpyridazin-3-one?
The canonical SMILES for 5-ethylsulfinyl-2-methylpyridazin-3-one is CCS(=O)c1cnn(C)c(=O)c1.
What is the InChIKey of 5-ethylsulfinyl-2-methylpyridazin-3-one?
The InChIKey is IBWKVDGUGQLZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-12(11)6-4-7(10)9(2)8-5-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethylsulfinyl-2-methylpyridazin-3-one?
5-ethylsulfinyl-2-methylpyridazin-3-one has a molecular weight of 186.24 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfinyl-2-methylpyridazin-3-one is sourced from PubChem (CID 14223003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).