ethane;5-ethyl-1H-pyridine-2-thione

C9H15NS — CID 143751759

IUPACethane;5-ethyl-1H-pyridine-2-thione
SMILESCC.CCc1ccc(=S)[nH]c1
InChIInChI=1S/C7H9NS.C2H6/c1-2-6-3-4-7(9)8-5-6;1-2/h3-5H,2H2,1H3,(H,8,9);1-2H3
InChIKeyXCPWHGPSRZRHEH-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.33
Rot. Bonds1

About ethane;5-ethyl-1H-pyridine-2-thione

ethane;5-ethyl-1H-pyridine-2-thione (PubChem CID 143751759) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is ethane;5-ethyl-1H-pyridine-2-thione.

Molecular Properties

Compound Nameethane;5-ethyl-1H-pyridine-2-thione
PubChem CID143751759
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Nameethane;5-ethyl-1H-pyridine-2-thione
SMILESCC.CCc1ccc(=S)[nH]c1
InChIInChI=1S/C7H9NS.C2H6/c1-2-6-3-4-7(9)8-5-6;1-2/h3-5H,2H2,1H3,(H,8,9);1-2H3
InChIKeyXCPWHGPSRZRHEH-UHFFFAOYSA-N
XLogP3.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.33
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 ethane;5-ethyl-1H-pyridine-2-thione?
The IUPAC name of ethane;5-ethyl-1H-pyridine-2-thione (CID 143751759) is ethane;5-ethyl-1H-pyridine-2-thione.
What is the SMILES notation for ethane;5-ethyl-1H-pyridine-2-thione?
The canonical SMILES for ethane;5-ethyl-1H-pyridine-2-thione is CC.CCc1ccc(=S)[nH]c1.
What is the InChIKey of ethane;5-ethyl-1H-pyridine-2-thione?
The InChIKey is XCPWHGPSRZRHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.C2H6/c1-2-6-3-4-7(9)8-5-6;1-2/h3-5H,2H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;5-ethyl-1H-pyridine-2-thione?
ethane;5-ethyl-1H-pyridine-2-thione has a molecular weight of 169.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1H-pyridine-2-thione is sourced from PubChem (CID 143751759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).