1-ethylpyridine-4-thione

C7H9NS — CID 14302455

IUPAC1-ethylpyridine-4-thione
SMILESCCn1ccc(=S)cc1
InChIInChI=1S/C7H9NS/c1-2-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyUEJVBEPNUJYJDF-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.24
Rot. Bonds1

About 1-ethylpyridine-4-thione

1-ethylpyridine-4-thione (PubChem CID 14302455) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 1-ethylpyridine-4-thione.

Molecular Properties

Compound Name1-ethylpyridine-4-thione
PubChem CID14302455
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name1-ethylpyridine-4-thione
SMILESCCn1ccc(=S)cc1
InChIInChI=1S/C7H9NS/c1-2-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyUEJVBEPNUJYJDF-UHFFFAOYSA-N
XLogP2.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylpyridine-4-thione?
The IUPAC name of 1-ethylpyridine-4-thione (CID 14302455) is 1-ethylpyridine-4-thione.
What is the SMILES notation for 1-ethylpyridine-4-thione?
The canonical SMILES for 1-ethylpyridine-4-thione is CCn1ccc(=S)cc1.
What is the InChIKey of 1-ethylpyridine-4-thione?
The InChIKey is UEJVBEPNUJYJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3.
What are the key properties of 1-ethylpyridine-4-thione?
1-ethylpyridine-4-thione has a molecular weight of 139.22 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyridine-4-thione is sourced from PubChem (CID 14302455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).