3-(methylsulfinylmethyl)pyridazine

C6H8N2OS — CID 91342415

IUPAC3-(methylsulfinylmethyl)pyridazine
SMILESCS(=O)Cc1cccnn1
InChIInChI=1S/C6H8N2OS/c1-10(9)5-6-3-2-4-7-8-6/h2-4H,5H2,1H3
InChIKeyCKRSQQBCVCJGDN-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.36
Rot. Bonds2

About 3-(methylsulfinylmethyl)pyridazine

3-(methylsulfinylmethyl)pyridazine (PubChem CID 91342415) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)pyridazine.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)pyridazine
PubChem CID91342415
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-(methylsulfinylmethyl)pyridazine
SMILESCS(=O)Cc1cccnn1
InChIInChI=1S/C6H8N2OS/c1-10(9)5-6-3-2-4-7-8-6/h2-4H,5H2,1H3
InChIKeyCKRSQQBCVCJGDN-UHFFFAOYSA-N
XLogP0.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)pyridazine?
The IUPAC name of 3-(methylsulfinylmethyl)pyridazine (CID 91342415) is 3-(methylsulfinylmethyl)pyridazine.
What is the SMILES notation for 3-(methylsulfinylmethyl)pyridazine?
The canonical SMILES for 3-(methylsulfinylmethyl)pyridazine is CS(=O)Cc1cccnn1.
What is the InChIKey of 3-(methylsulfinylmethyl)pyridazine?
The InChIKey is CKRSQQBCVCJGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-10(9)5-6-3-2-4-7-8-6/h2-4H,5H2,1H3.
What are the key properties of 3-(methylsulfinylmethyl)pyridazine?
3-(methylsulfinylmethyl)pyridazine has a molecular weight of 156.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)pyridazine is sourced from PubChem (CID 91342415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).