2-(methylsulfanylmethyl)pyridazin-3-one

C6H8N2OS — CID 163763799

IUPAC2-(methylsulfanylmethyl)pyridazin-3-one
SMILESCSCn1ncccc1=O
InChIInChI=1S/C6H8N2OS/c1-10-5-8-6(9)3-2-4-7-8/h2-4H,5H2,1H3
InChIKeyMAMFUFLZAMQACU-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.56
Rot. Bonds2

About 2-(methylsulfanylmethyl)pyridazin-3-one

2-(methylsulfanylmethyl)pyridazin-3-one (PubChem CID 163763799) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)pyridazin-3-one
PubChem CID163763799
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-(methylsulfanylmethyl)pyridazin-3-one
SMILESCSCn1ncccc1=O
InChIInChI=1S/C6H8N2OS/c1-10-5-8-6(9)3-2-4-7-8/h2-4H,5H2,1H3
InChIKeyMAMFUFLZAMQACU-UHFFFAOYSA-N
XLogP0.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone
CID 3039859
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-Ethylpyridazin-3-one
CID 21479093
2-Propylpyridazin-3-one
CID 21479118
2-Methylpyridazin-3-one;dihydrochloride
CID 21991433
2-Methylpyridazin-3-one;hydrochloride
CID 23018228
Ethane;2-methylpyridazin-3-one
CID 91017747
(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide
CID 130469747
2-Methylsulfanylpyridazin-3-one
CID 139673138
(6-Oxopyridazin-1-yl)methyl methanesulfonate
CID 141064920
2-(Trideuteriomethyl)pyridazin-3-one
CID 142526014

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)pyridazin-3-one?
The IUPAC name of 2-(methylsulfanylmethyl)pyridazin-3-one (CID 163763799) is 2-(methylsulfanylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(methylsulfanylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(methylsulfanylmethyl)pyridazin-3-one is CSCn1ncccc1=O.
What is the InChIKey of 2-(methylsulfanylmethyl)pyridazin-3-one?
The InChIKey is MAMFUFLZAMQACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-10-5-8-6(9)3-2-4-7-8/h2-4H,5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)pyridazin-3-one?
2-(methylsulfanylmethyl)pyridazin-3-one has a molecular weight of 156.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)pyridazin-3-one is sourced from PubChem (CID 163763799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).