methanesulfonic acid;1H-pyrimidin-2-one

C5H8N2O4S — CID 174444847

IUPACmethanesulfonic acid;1H-pyrimidin-2-one
SMILESCS(=O)(=O)O.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.CH4O3S/c7-4-5-2-1-3-6-4;1-5(2,3)4/h1-3H,(H,5,6,7);1H3,(H,2,3,4)
InChIKeyNHFYPPVIFRTTKP-UHFFFAOYSA-N
MW192.20 g/mol
LogP-0.73
Rot. Bonds

About methanesulfonic acid;1H-pyrimidin-2-one

methanesulfonic acid;1H-pyrimidin-2-one (PubChem CID 174444847) has the molecular formula C5H8N2O4S and a molecular weight of 192.20 g/mol. Its IUPAC name is methanesulfonic acid;1H-pyrimidin-2-one.

Molecular Properties

Compound Namemethanesulfonic acid;1H-pyrimidin-2-one
PubChem CID174444847
Molecular FormulaC5H8N2O4S
Molecular Weight192.20 g/mol
Exact Mass192.02
IUPAC Namemethanesulfonic acid;1H-pyrimidin-2-one
SMILESCS(=O)(=O)O.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.CH4O3S/c7-4-5-2-1-3-6-4;1-5(2,3)4/h1-3H,(H,5,6,7);1H3,(H,2,3,4)
InChIKeyNHFYPPVIFRTTKP-UHFFFAOYSA-N
XLogP-0.73
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1H-pyrimidin-2-one?
The IUPAC name of methanesulfonic acid;1H-pyrimidin-2-one (CID 174444847) is methanesulfonic acid;1H-pyrimidin-2-one.
What is the SMILES notation for methanesulfonic acid;1H-pyrimidin-2-one?
The canonical SMILES for methanesulfonic acid;1H-pyrimidin-2-one is CS(=O)(=O)O.O=c1nccc[nH]1.
What is the InChIKey of methanesulfonic acid;1H-pyrimidin-2-one?
The InChIKey is NHFYPPVIFRTTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.CH4O3S/c7-4-5-2-1-3-6-4;1-5(2,3)4/h1-3H,(H,5,6,7);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1H-pyrimidin-2-one?
methanesulfonic acid;1H-pyrimidin-2-one has a molecular weight of 192.20 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1H-pyrimidin-2-one is sourced from PubChem (CID 174444847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).