potassium 2-methyl-4H-imidazol-3-ide-5-thione

C4H5KN2S — CID 143608675

IUPACpotassium 2-methyl-4H-imidazol-3-ide-5-thione
SMILESCC1=NC(=S)C[N-]1.[K+]
InChIInChI=1S/C4H6N2S.K/c1-3-5-2-4(7)6-3;/h2H2,1H3,(H,5,6,7);/q;+1/p-1
InChIKeyNRPBUMCVXSMZSQ-UHFFFAOYSA-M
MW152.26 g/mol
LogP-1.88
Rot. Bonds

About potassium 2-methyl-4H-imidazol-3-ide-5-thione

potassium 2-methyl-4H-imidazol-3-ide-5-thione (PubChem CID 143608675) has the molecular formula C4H5KN2S and a molecular weight of 152.26 g/mol. Its IUPAC name is potassium 2-methyl-4H-imidazol-3-ide-5-thione.

Molecular Properties

Compound Namepotassium 2-methyl-4H-imidazol-3-ide-5-thione
PubChem CID143608675
Molecular FormulaC4H5KN2S
Molecular Weight152.26 g/mol
Exact Mass151.98
IUPAC Namepotassium 2-methyl-4H-imidazol-3-ide-5-thione
SMILESCC1=NC(=S)C[N-]1.[K+]
InChIInChI=1S/C4H6N2S.K/c1-3-5-2-4(7)6-3;/h2H2,1H3,(H,5,6,7);/q;+1/p-1
InChIKeyNRPBUMCVXSMZSQ-UHFFFAOYSA-M
XLogP-1.88
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 potassium 2-methyl-4H-imidazol-3-ide-5-thione?
The IUPAC name of potassium 2-methyl-4H-imidazol-3-ide-5-thione (CID 143608675) is potassium 2-methyl-4H-imidazol-3-ide-5-thione.
What is the SMILES notation for potassium 2-methyl-4H-imidazol-3-ide-5-thione?
The canonical SMILES for potassium 2-methyl-4H-imidazol-3-ide-5-thione is CC1=NC(=S)C[N-]1.[K+].
What is the InChIKey of potassium 2-methyl-4H-imidazol-3-ide-5-thione?
The InChIKey is NRPBUMCVXSMZSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2S.K/c1-3-5-2-4(7)6-3;/h2H2,1H3,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium 2-methyl-4H-imidazol-3-ide-5-thione?
potassium 2-methyl-4H-imidazol-3-ide-5-thione has a molecular weight of 152.26 g/mol, XLogP of -1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methyl-4H-imidazol-3-ide-5-thione is sourced from PubChem (CID 143608675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).