2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole

C5H10N2O2S — CID 58914504

IUPAC2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole
SMILESCOOSN1CCN=C1C
InChIInChI=1S/C5H10N2O2S/c1-5-6-3-4-7(5)10-9-8-2/h3-4H2,1-2H3
InChIKeyBDYHSUYLSUXPEB-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.86
Rot. Bonds3

About 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole

2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole (PubChem CID 58914504) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole
PubChem CID58914504
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole
SMILESCOOSN1CCN=C1C
InChIInChI=1S/C5H10N2O2S/c1-5-6-3-4-7(5)10-9-8-2/h3-4H2,1-2H3
InChIKeyBDYHSUYLSUXPEB-UHFFFAOYSA-N
XLogP0.86
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole?
The IUPAC name of 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole (CID 58914504) is 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole is COOSN1CCN=C1C.
What is the InChIKey of 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole?
The InChIKey is BDYHSUYLSUXPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-5-6-3-4-7(5)10-9-8-2/h3-4H2,1-2H3.
What are the key properties of 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole?
2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole has a molecular weight of 162.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylperoxysulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 58914504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).