6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten

C5H3F2N2OSW- — CID 59899056

IUPAC6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten
SMILESO=c1cc([C-](F)F)[nH]c(=S)[nH]1.[W]
InChIInChI=1S/C5H3F2N2OS.W/c6-4(7)2-1-3(10)9-5(11)8-2;/h1H,(H2,8,9,10,11);/q-1;
InChIKeyIMLYXMPRVKTSKS-UHFFFAOYSA-N
MW361.00 g/mol
LogP1.21
Rot. Bonds1

About 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten

6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten (PubChem CID 59899056) has the molecular formula C5H3F2N2OSW- and a molecular weight of 361.00 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten.

Molecular Properties

Compound Name6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten
PubChem CID59899056
Molecular FormulaC5H3F2N2OSW-
Molecular Weight361.00 g/mol
Exact Mass360.94
IUPAC Name6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten
SMILESO=c1cc([C-](F)F)[nH]c(=S)[nH]1.[W]
InChIInChI=1S/C5H3F2N2OS.W/c6-4(7)2-1-3(10)9-5(11)8-2;/h1H,(H2,8,9,10,11);/q-1;
InChIKeyIMLYXMPRVKTSKS-UHFFFAOYSA-N
XLogP1.21
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.00
LogP ≤ 51.21
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 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten?
The IUPAC name of 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten (CID 59899056) is 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten.
What is the SMILES notation for 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten?
The canonical SMILES for 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten is O=c1cc([C-](F)F)[nH]c(=S)[nH]1.[W].
What is the InChIKey of 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten?
The InChIKey is IMLYXMPRVKTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2N2OS.W/c6-4(7)2-1-3(10)9-5(11)8-2;/h1H,(H2,8,9,10,11);/q-1;.
What are the key properties of 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten?
6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten has a molecular weight of 361.00 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one;tungsten is sourced from PubChem (CID 59899056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).