(2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite

C4H3FN2O2S — CID 170007894

IUPAC(2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite
SMILESO=c1cc[nH]c(=O)n1SF
InChIInChI=1S/C4H3FN2O2S/c5-10-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9)
InChIKeyYPROVFCNMUNOOT-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.08
Rot. Bonds1

About (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite

(2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite (PubChem CID 170007894) has the molecular formula C4H3FN2O2S and a molecular weight of 162.15 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite
PubChem CID170007894
Molecular FormulaC4H3FN2O2S
Molecular Weight162.15 g/mol
Exact Mass161.99
IUPAC Name(2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite
SMILESO=c1cc[nH]c(=O)n1SF
InChIInChI=1S/C4H3FN2O2S/c5-10-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9)
InChIKeyYPROVFCNMUNOOT-UHFFFAOYSA-N
XLogP-0.08
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite (CID 170007894) is (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite is O=c1cc[nH]c(=O)n1SF.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite?
The InChIKey is YPROVFCNMUNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2S/c5-10-7-3(8)1-2-6-4(7)9/h1-2H,(H,6,9).
What are the key properties of (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite?
(2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite has a molecular weight of 162.15 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite is sourced from PubChem (CID 170007894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).