1-(2-methylprop-2-enoxy)pyridine-2-thione

C9H11NOS — CID 10559314

IUPAC1-(2-methylprop-2-enoxy)pyridine-2-thione
SMILESC=C(C)COn1ccccc1=S
InChIInChI=1S/C9H11NOS/c1-8(2)7-11-10-6-4-3-5-9(10)12/h3-6H,1,7H2,2H3
InChIKeyLZVSOEWLOQJZJH-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.22
Rot. Bonds3

About 1-(2-methylprop-2-enoxy)pyridine-2-thione

1-(2-methylprop-2-enoxy)pyridine-2-thione (PubChem CID 10559314) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)pyridine-2-thione.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)pyridine-2-thione
PubChem CID10559314
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name1-(2-methylprop-2-enoxy)pyridine-2-thione
SMILESC=C(C)COn1ccccc1=S
InChIInChI=1S/C9H11NOS/c1-8(2)7-11-10-6-4-3-5-9(10)12/h3-6H,1,7H2,2H3
InChIKeyLZVSOEWLOQJZJH-UHFFFAOYSA-N
XLogP2.22
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)pyridine-2-thione?
The IUPAC name of 1-(2-methylprop-2-enoxy)pyridine-2-thione (CID 10559314) is 1-(2-methylprop-2-enoxy)pyridine-2-thione.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)pyridine-2-thione?
The canonical SMILES for 1-(2-methylprop-2-enoxy)pyridine-2-thione is C=C(C)COn1ccccc1=S.
What is the InChIKey of 1-(2-methylprop-2-enoxy)pyridine-2-thione?
The InChIKey is LZVSOEWLOQJZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-8(2)7-11-10-6-4-3-5-9(10)12/h3-6H,1,7H2,2H3.
What are the key properties of 1-(2-methylprop-2-enoxy)pyridine-2-thione?
1-(2-methylprop-2-enoxy)pyridine-2-thione has a molecular weight of 181.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)pyridine-2-thione is sourced from PubChem (CID 10559314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).