5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one

C4H3FN2OS — CID 10964651

IUPAC5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]cc1F
InChIInChI=1S/C4H3FN2OS/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyAAMXUTIFBMEJAV-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.57
Rot. Bonds

About 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one

5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 10964651) has the molecular formula C4H3FN2OS and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID10964651
Molecular FormulaC4H3FN2OS
Molecular Weight146.15 g/mol
Exact Mass146.00
IUPAC Name5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]cc1F
InChIInChI=1S/C4H3FN2OS/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyAAMXUTIFBMEJAV-UHFFFAOYSA-N
XLogP0.57
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
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 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one (CID 10964651) is 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one is O=c1[nH]c(=S)[nH]cc1F.
What is the InChIKey of 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is AAMXUTIFBMEJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2OS/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9).
What are the key properties of 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one?
5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 146.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 10964651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).