1-(2-fluoroethyl)pyridine-4-thione

C7H8FNS — CID 14125537

IUPAC1-(2-fluoroethyl)pyridine-4-thione
SMILESFCCn1ccc(=S)cc1
InChIInChI=1S/C7H8FNS/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-5H,3,6H2
InChIKeyIWOGZACKYZGFSG-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-fluoroethyl)pyridine-4-thione

1-(2-fluoroethyl)pyridine-4-thione (PubChem CID 14125537) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyridine-4-thione.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyridine-4-thione
PubChem CID14125537
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name1-(2-fluoroethyl)pyridine-4-thione
SMILESFCCn1ccc(=S)cc1
InChIInChI=1S/C7H8FNS/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-5H,3,6H2
InChIKeyIWOGZACKYZGFSG-UHFFFAOYSA-N
XLogP2.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.19
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-(2-fluoroethyl)pyridine-4-thione?
The IUPAC name of 1-(2-fluoroethyl)pyridine-4-thione (CID 14125537) is 1-(2-fluoroethyl)pyridine-4-thione.
What is the SMILES notation for 1-(2-fluoroethyl)pyridine-4-thione?
The canonical SMILES for 1-(2-fluoroethyl)pyridine-4-thione is FCCn1ccc(=S)cc1.
What is the InChIKey of 1-(2-fluoroethyl)pyridine-4-thione?
The InChIKey is IWOGZACKYZGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-5H,3,6H2.
What are the key properties of 1-(2-fluoroethyl)pyridine-4-thione?
1-(2-fluoroethyl)pyridine-4-thione has a molecular weight of 157.21 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyridine-4-thione is sourced from PubChem (CID 14125537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).