1-propan-2-yloxypyridine-2-thione

C8H11NOS — CID 14400669

IUPAC1-propan-2-yloxypyridine-2-thione
SMILESCC(C)On1ccccc1=S
InChIInChI=1S/C8H11NOS/c1-7(2)10-9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyXKQHOYVLMAEJEU-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.05
Rot. Bonds2

About 1-propan-2-yloxypyridine-2-thione

1-propan-2-yloxypyridine-2-thione (PubChem CID 14400669) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-propan-2-yloxypyridine-2-thione.

Molecular Properties

Compound Name1-propan-2-yloxypyridine-2-thione
PubChem CID14400669
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-propan-2-yloxypyridine-2-thione
SMILESCC(C)On1ccccc1=S
InChIInChI=1S/C8H11NOS/c1-7(2)10-9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyXKQHOYVLMAEJEU-UHFFFAOYSA-N
XLogP2.05
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxypyridine-2-thione?
The IUPAC name of 1-propan-2-yloxypyridine-2-thione (CID 14400669) is 1-propan-2-yloxypyridine-2-thione.
What is the SMILES notation for 1-propan-2-yloxypyridine-2-thione?
The canonical SMILES for 1-propan-2-yloxypyridine-2-thione is CC(C)On1ccccc1=S.
What is the InChIKey of 1-propan-2-yloxypyridine-2-thione?
The InChIKey is XKQHOYVLMAEJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-7(2)10-9-6-4-3-5-8(9)11/h3-7H,1-2H3.
What are the key properties of 1-propan-2-yloxypyridine-2-thione?
1-propan-2-yloxypyridine-2-thione has a molecular weight of 169.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxypyridine-2-thione is sourced from PubChem (CID 14400669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).