6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one

C11H10N2O2S — CID 912941

IUPAC6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
SMILESCc1ccccc1-n1c(O)cc(=O)[nH]c1=S
InChIInChI=1S/C11H10N2O2S/c1-7-4-2-3-5-8(7)13-10(15)6-9(14)12-11(13)16/h2-6,15H,1H3,(H,12,14,16)
InChIKeyWSOHRIHPADODBE-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.91
Rot. Bonds1

About 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one

6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one (PubChem CID 912941) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
PubChem CID912941
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
SMILESCc1ccccc1-n1c(O)cc(=O)[nH]c1=S
InChIInChI=1S/C11H10N2O2S/c1-7-4-2-3-5-8(7)13-10(15)6-9(14)12-11(13)16/h2-6,15H,1H3,(H,12,14,16)
InChIKeyWSOHRIHPADODBE-UHFFFAOYSA-N
XLogP1.91
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one (CID 912941) is 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one is Cc1ccccc1-n1c(O)cc(=O)[nH]c1=S.
What is the InChIKey of 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one?
The InChIKey is WSOHRIHPADODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-4-2-3-5-8(7)13-10(15)6-9(14)12-11(13)16/h2-6,15H,1H3,(H,12,14,16).
What are the key properties of 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one?
6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 912941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).