1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione

C9H13NOS — CID 14089614

IUPAC1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione
SMILESCC(C)(C)On1ccccc1=S
InChIInChI=1S/C9H13NOS/c1-9(2,3)11-10-7-5-4-6-8(10)12/h4-7H,1-3H3
InChIKeyQASOPUVBOOVERG-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.44
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione

1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione (PubChem CID 14089614) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione
PubChem CID14089614
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione
SMILESCC(C)(C)On1ccccc1=S
InChIInChI=1S/C9H13NOS/c1-9(2,3)11-10-7-5-4-6-8(10)12/h4-7H,1-3H3
InChIKeyQASOPUVBOOVERG-UHFFFAOYSA-N
XLogP2.44
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.44
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-[(2-methylpropan-2-yl)oxy]pyridine-2-thione?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione (CID 14089614) is 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione is CC(C)(C)On1ccccc1=S.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione?
The InChIKey is QASOPUVBOOVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2,3)11-10-7-5-4-6-8(10)12/h4-7H,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione?
1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione has a molecular weight of 183.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]pyridine-2-thione is sourced from PubChem (CID 14089614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).