5-fluoro-1H-pyrazine-2-thione

C4H3FN2S — CID 144798519

IUPAC5-fluoro-1H-pyrazine-2-thione
SMILESFc1c[nH]c(=S)cn1
InChIInChI=1S/C4H3FN2S/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChIKeyFOSPVOKOYJSBRB-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.28
Rot. Bonds

About 5-fluoro-1H-pyrazine-2-thione

5-fluoro-1H-pyrazine-2-thione (PubChem CID 144798519) has the molecular formula C4H3FN2S and a molecular weight of 130.15 g/mol. Its IUPAC name is 5-fluoro-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5-fluoro-1H-pyrazine-2-thione
PubChem CID144798519
Molecular FormulaC4H3FN2S
Molecular Weight130.15 g/mol
Exact Mass130.00
IUPAC Name5-fluoro-1H-pyrazine-2-thione
SMILESFc1c[nH]c(=S)cn1
InChIInChI=1S/C4H3FN2S/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChIKeyFOSPVOKOYJSBRB-UHFFFAOYSA-N
XLogP1.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-fluoro-1H-pyrazine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrazine-2-thione?
The IUPAC name of 5-fluoro-1H-pyrazine-2-thione (CID 144798519) is 5-fluoro-1H-pyrazine-2-thione.
What is the SMILES notation for 5-fluoro-1H-pyrazine-2-thione?
The canonical SMILES for 5-fluoro-1H-pyrazine-2-thione is Fc1c[nH]c(=S)cn1.
What is the InChIKey of 5-fluoro-1H-pyrazine-2-thione?
The InChIKey is FOSPVOKOYJSBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2S/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8).
What are the key properties of 5-fluoro-1H-pyrazine-2-thione?
5-fluoro-1H-pyrazine-2-thione has a molecular weight of 130.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrazine-2-thione is sourced from PubChem (CID 144798519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).