5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium

C4H4N2O2SY — CID 59141440

IUPAC5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium
SMILESO=c1[nH]c(=S)[nH]cc1O.[Y]
InChIInChI=1S/C4H4N2O2S.Y/c7-2-1-5-4(9)6-3(2)8;/h1,7H,(H2,5,6,8,9);
InChIKeyHJBHGKVXNBWQIN-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.14
Rot. Bonds

About 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium

5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium (PubChem CID 59141440) has the molecular formula C4H4N2O2SY and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium.

Molecular Properties

Compound Name5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium
PubChem CID59141440
Molecular FormulaC4H4N2O2SY
Molecular Weight233.06 g/mol
Exact Mass232.91
IUPAC Name5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium
SMILESO=c1[nH]c(=S)[nH]cc1O.[Y]
InChIInChI=1S/C4H4N2O2S.Y/c7-2-1-5-4(9)6-3(2)8;/h1,7H,(H2,5,6,8,9);
InChIKeyHJBHGKVXNBWQIN-UHFFFAOYSA-N
XLogP0.14
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium?
The IUPAC name of 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium (CID 59141440) is 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium.
What is the SMILES notation for 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium?
The canonical SMILES for 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium is O=c1[nH]c(=S)[nH]cc1O.[Y].
What is the InChIKey of 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium?
The InChIKey is HJBHGKVXNBWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S.Y/c7-2-1-5-4(9)6-3(2)8;/h1,7H,(H2,5,6,8,9);.
What are the key properties of 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium?
5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium has a molecular weight of 233.06 g/mol, XLogP of 0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium is sourced from PubChem (CID 59141440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).