2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one

C8H10N2OS — CID 103073970

IUPAC2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CS)Cn1ncccc1=O
InChIInChI=1S/C8H10N2OS/c1-7(6-12)5-10-8(11)3-2-4-9-10/h2-4,12H,1,5-6H2
InChIKeyIRJCOPVHWTZKSL-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.73
Rot. Bonds3

About 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one

2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073970) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073970
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CS)Cn1ncccc1=O
InChIInChI=1S/C8H10N2OS/c1-7(6-12)5-10-8(11)3-2-4-9-10/h2-4,12H,1,5-6H2
InChIKeyIRJCOPVHWTZKSL-UHFFFAOYSA-N
XLogP0.73
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylpropyl)pyridazin-3-one
CID 23018253
2-(2-Methylprop-2-enyl)pyridazin-3-one
CID 89140353
2-(2,2-Dimethylpropyl)pyridazin-3-one
CID 89850538
4-Methyl-2-propylpyridazin-3-one
CID 174155037
2-(2-Sulfanylethyl)pyridazin-3-one
CID 80021917
2-[3-Methyl-2-(sulfanylmethyl)butyl]pyridazin-3-one
CID 80022013
2-[[1-(Sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 80022015
2-(3-Methyl-5-sulfanylpentyl)pyridazin-3-one
CID 80022113
2-[[1-(Sulfanylmethyl)cyclobutyl]methyl]pyridazin-3-one
CID 80022114
2-[2-Ethyl-2-(sulfanylmethyl)butyl]pyridazin-3-one
CID 80022115
2-(5-Sulfanylpentyl)pyridazin-3-one
CID 80022211
2-(2,2-Dimethyl-3-sulfanylpropyl)pyridazin-3-one
CID 80022212

Frequently Asked Questions

What is the IUPAC name of 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one (CID 103073970) is 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one is C=C(CS)Cn1ncccc1=O.
What is the InChIKey of 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is IRJCOPVHWTZKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-7(6-12)5-10-8(11)3-2-4-9-10/h2-4,12H,1,5-6H2.
What are the key properties of 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one?
2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 182.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).