3-methylsulfinylpyridazine

C5H6N2OS — CID 90767340

IUPAC3-methylsulfinylpyridazine
SMILESCS(=O)c1cccnn1
InChIInChI=1S/C5H6N2OS/c1-9(8)5-3-2-4-6-7-5/h2-4H,1H3
InChIKeyXWEZOHRGOBUIBB-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.21
Rot. Bonds1

About 3-methylsulfinylpyridazine

3-methylsulfinylpyridazine (PubChem CID 90767340) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-methylsulfinylpyridazine.

Molecular Properties

Compound Name3-methylsulfinylpyridazine
PubChem CID90767340
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name3-methylsulfinylpyridazine
SMILESCS(=O)c1cccnn1
InChIInChI=1S/C5H6N2OS/c1-9(8)5-3-2-4-6-7-5/h2-4H,1H3
InChIKeyXWEZOHRGOBUIBB-UHFFFAOYSA-N
XLogP0.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylsulfonylpyridazine
CID 292490
3-(Methylsulfanyl)pyridazine
CID 292491
Pyridazine-3-sulfonamide
CID 23076742
Pyridazine-3-sulfonyl fluoride
CID 22591562
4-(Methylthio)pyridazine
CID 19831822
4-Methanesulfonylpyridazine
CID 119087664
Pyridazine, 4-methylsulphinyl-
CID 119088395
3-[(Prop-2-en-1-yl)sulfanyl]pyridazine
CID 21217663
Sulfodiazin
CID 21711839
3-(Trifluoromethylsulfanyl)pyridazine
CID 172697228
CID 177800937
CID 177800937
3-(2,2-Difluoroethylsulfanyl)pyridazine
CID 126988474

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylpyridazine?
The IUPAC name of 3-methylsulfinylpyridazine (CID 90767340) is 3-methylsulfinylpyridazine.
What is the SMILES notation for 3-methylsulfinylpyridazine?
The canonical SMILES for 3-methylsulfinylpyridazine is CS(=O)c1cccnn1.
What is the InChIKey of 3-methylsulfinylpyridazine?
The InChIKey is XWEZOHRGOBUIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-9(8)5-3-2-4-6-7-5/h2-4H,1H3.
What are the key properties of 3-methylsulfinylpyridazine?
3-methylsulfinylpyridazine has a molecular weight of 142.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylpyridazine is sourced from PubChem (CID 90767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).