5-methyl-2-sulfanylidene-1H-pyrimidin-4-one

C5H6N2OS — CID 720471

IUPAC5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCc1c[nH]c(=S)[nH]c1=O
InChIInChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyZLAQATDNGLKIEV-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.74
Rot. Bonds

About 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one

5-methyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 720471) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID720471
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCc1c[nH]c(=S)[nH]c1=O
InChIInChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyZLAQATDNGLKIEV-UHFFFAOYSA-N
XLogP0.74
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 720471) is 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one is Cc1c[nH]c(=S)[nH]c1=O.
What is the InChIKey of 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is ZLAQATDNGLKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one?
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 142.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 720471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).