difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one

C5H5F2N2OSW- — CID 20707048

IUPACdifluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESF[W]F.[CH2-]c1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C5H5N2OS.2FH.W/c1-3-2-4(8)7-5(9)6-3;;;/h2H,1H2,(H2,6,7,8,9);2*1H;/q-1;;;+2/p-2
InChIKeyAWWSCGMAONSTDK-UHFFFAOYSA-L
MW363.01 g/mol
LogP1.45
Rot. Bonds

About difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one

difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 20707048) has the molecular formula C5H5F2N2OSW- and a molecular weight of 363.01 g/mol. Its IUPAC name is difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Namedifluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID20707048
Molecular FormulaC5H5F2N2OSW-
Molecular Weight363.01 g/mol
Exact Mass362.96
IUPAC Namedifluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESF[W]F.[CH2-]c1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C5H5N2OS.2FH.W/c1-3-2-4(8)7-5(9)6-3;;;/h2H,1H2,(H2,6,7,8,9);2*1H;/q-1;;;+2/p-2
InChIKeyAWWSCGMAONSTDK-UHFFFAOYSA-L
XLogP1.45
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.01
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 20707048) is difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one is F[W]F.[CH2-]c1cc(=O)[nH]c(=S)[nH]1.
What is the InChIKey of difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is AWWSCGMAONSTDK-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5N2OS.2FH.W/c1-3-2-4(8)7-5(9)6-3;;;/h2H,1H2,(H2,6,7,8,9);2*1H;/q-1;;;+2/p-2.
What are the key properties of difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one?
difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 363.01 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorotungsten;6-methanidyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 20707048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).