5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)

C4H5N2ORbS — CID 143227751

IUPAC5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)
SMILESCC1NC(=S)[N-]C1=O.[Rb+]
InChIInChI=1S/C4H6N2OS.Rb/c1-2-3(7)6-4(8)5-2;/h2H,1H3,(H2,5,6,7,8);/q;+1/p-1
InChIKeyORRURQHFOXHVBL-UHFFFAOYSA-M
MW214.63 g/mol
LogP-2.83
Rot. Bonds

About 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)

5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+) (PubChem CID 143227751) has the molecular formula C4H5N2ORbS and a molecular weight of 214.63 g/mol. Its IUPAC name is 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+).

Molecular Properties

Compound Name5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)
PubChem CID143227751
Molecular FormulaC4H5N2ORbS
Molecular Weight214.63 g/mol
Exact Mass213.92
IUPAC Name5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)
SMILESCC1NC(=S)[N-]C1=O.[Rb+]
InChIInChI=1S/C4H6N2OS.Rb/c1-2-3(7)6-4(8)5-2;/h2H,1H3,(H2,5,6,7,8);/q;+1/p-1
InChIKeyORRURQHFOXHVBL-UHFFFAOYSA-M
XLogP-2.83
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 5-2.83
H-Bond Donors ≤ 51
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-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)?
The IUPAC name of 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+) (CID 143227751) is 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+).
What is the SMILES notation for 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)?
The canonical SMILES for 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+) is CC1NC(=S)[N-]C1=O.[Rb+].
What is the InChIKey of 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)?
The InChIKey is ORRURQHFOXHVBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2OS.Rb/c1-2-3(7)6-4(8)5-2;/h2H,1H3,(H2,5,6,7,8);/q;+1/p-1.
What are the key properties of 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+)?
5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+) has a molecular weight of 214.63 g/mol, XLogP of -2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanylideneimidazolidin-3-id-4-one;rubidium(1+) is sourced from PubChem (CID 143227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).