6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one

C4H4N2O2S — CID 1268265

IUPAC6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(O)[nH]c(=S)[nH]1
InChIInChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)
InChIKeySTUQITWXBMZUGY-UHFFFAOYSA-N
MW144.16 g/mol
LogP0.14
Rot. Bonds

About 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one

6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 1268265) has the molecular formula C4H4N2O2S and a molecular weight of 144.16 g/mol. Its IUPAC name is 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID1268265
Molecular FormulaC4H4N2O2S
Molecular Weight144.16 g/mol
Exact Mass144.00
IUPAC Name6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(O)[nH]c(=S)[nH]1
InChIInChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)
InChIKeySTUQITWXBMZUGY-UHFFFAOYSA-N
XLogP0.14
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
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 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one (CID 1268265) is 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is O=c1cc(O)[nH]c(=S)[nH]1.
What is the InChIKey of 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is STUQITWXBMZUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9).
What are the key properties of 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one?
6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 144.16 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 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 1268265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).