3-(2-methylprop-1-enyl)-1H-pyridine-2-thione

C9H11NS — CID 122488046

IUPAC3-(2-methylprop-1-enyl)-1H-pyridine-2-thione
SMILESCC(C)=Cc1ccc[nH]c1=S
InChIInChI=1S/C9H11NS/c1-7(2)6-8-4-3-5-10-9(8)11/h3-6H,1-2H3,(H,10,11)
InChIKeyFYIAZTMIAVIPFG-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.17
Rot. Bonds1

About 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione

3-(2-methylprop-1-enyl)-1H-pyridine-2-thione (PubChem CID 122488046) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-(2-methylprop-1-enyl)-1H-pyridine-2-thione
PubChem CID122488046
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3-(2-methylprop-1-enyl)-1H-pyridine-2-thione
SMILESCC(C)=Cc1ccc[nH]c1=S
InChIInChI=1S/C9H11NS/c1-7(2)6-8-4-3-5-10-9(8)11/h3-6H,1-2H3,(H,10,11)
InChIKeyFYIAZTMIAVIPFG-UHFFFAOYSA-N
XLogP3.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione?
The IUPAC name of 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione (CID 122488046) is 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione?
The canonical SMILES for 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione is CC(C)=Cc1ccc[nH]c1=S.
What is the InChIKey of 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione?
The InChIKey is FYIAZTMIAVIPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-7(2)6-8-4-3-5-10-9(8)11/h3-6H,1-2H3,(H,10,11).
What are the key properties of 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione?
3-(2-methylprop-1-enyl)-1H-pyridine-2-thione has a molecular weight of 165.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enyl)-1H-pyridine-2-thione is sourced from PubChem (CID 122488046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).