1-(2-methylpent-4-enoxy)pyridine-2-thione

C11H15NOS — CID 10584540

IUPAC1-(2-methylpent-4-enoxy)pyridine-2-thione
SMILESC=CCC(C)COn1ccccc1=S
InChIInChI=1S/C11H15NOS/c1-3-6-10(2)9-13-12-8-5-4-7-11(12)14/h3-5,7-8,10H,1,6,9H2,2H3
InChIKeyQOPZNVWJNAAPAK-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-methylpent-4-enoxy)pyridine-2-thione

1-(2-methylpent-4-enoxy)pyridine-2-thione (PubChem CID 10584540) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-methylpent-4-enoxy)pyridine-2-thione.

Molecular Properties

Compound Name1-(2-methylpent-4-enoxy)pyridine-2-thione
PubChem CID10584540
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2-methylpent-4-enoxy)pyridine-2-thione
SMILESC=CCC(C)COn1ccccc1=S
InChIInChI=1S/C11H15NOS/c1-3-6-10(2)9-13-12-8-5-4-7-11(12)14/h3-5,7-8,10H,1,6,9H2,2H3
InChIKeyQOPZNVWJNAAPAK-UHFFFAOYSA-N
XLogP2.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.86
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-methylpent-4-enoxy)pyridine-2-thione?
The IUPAC name of 1-(2-methylpent-4-enoxy)pyridine-2-thione (CID 10584540) is 1-(2-methylpent-4-enoxy)pyridine-2-thione.
What is the SMILES notation for 1-(2-methylpent-4-enoxy)pyridine-2-thione?
The canonical SMILES for 1-(2-methylpent-4-enoxy)pyridine-2-thione is C=CCC(C)COn1ccccc1=S.
What is the InChIKey of 1-(2-methylpent-4-enoxy)pyridine-2-thione?
The InChIKey is QOPZNVWJNAAPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-6-10(2)9-13-12-8-5-4-7-11(12)14/h3-5,7-8,10H,1,6,9H2,2H3.
What are the key properties of 1-(2-methylpent-4-enoxy)pyridine-2-thione?
1-(2-methylpent-4-enoxy)pyridine-2-thione has a molecular weight of 209.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpent-4-enoxy)pyridine-2-thione is sourced from PubChem (CID 10584540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).