4-methylsulfanylpyridazine

C5H6N2S — CID 19831822

IUPAC4-methylsulfanylpyridazine
SMILESCSc1ccnnc1
InChIInChI=1S/C5H6N2S/c1-8-5-2-3-6-7-4-5/h2-4H,1H3
InChIKeyKSGKDNUWPMCTAB-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.20
Rot. Bonds1

About 4-methylsulfanylpyridazine

4-methylsulfanylpyridazine (PubChem CID 19831822) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4-methylsulfanylpyridazine.

Molecular Properties

Compound Name4-methylsulfanylpyridazine
PubChem CID19831822
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4-methylsulfanylpyridazine
SMILESCSc1ccnnc1
InChIInChI=1S/C5H6N2S/c1-8-5-2-3-6-7-4-5/h2-4H,1H3
InChIKeyKSGKDNUWPMCTAB-UHFFFAOYSA-N
XLogP1.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpyridazine?
The IUPAC name of 4-methylsulfanylpyridazine (CID 19831822) is 4-methylsulfanylpyridazine.
What is the SMILES notation for 4-methylsulfanylpyridazine?
The canonical SMILES for 4-methylsulfanylpyridazine is CSc1ccnnc1.
What is the InChIKey of 4-methylsulfanylpyridazine?
The InChIKey is KSGKDNUWPMCTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-8-5-2-3-6-7-4-5/h2-4H,1H3.
What are the key properties of 4-methylsulfanylpyridazine?
4-methylsulfanylpyridazine has a molecular weight of 126.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyridazine is sourced from PubChem (CID 19831822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).