3-(dimethylamino)-1H-imidazole-2-thione

C5H9N3S — CID 19434517

IUPAC3-(dimethylamino)-1H-imidazole-2-thione
SMILESCN(C)n1cc[nH]c1=S
InChIInChI=1S/C5H9N3S/c1-7(2)8-4-3-6-5(8)9/h3-4H,1-2H3,(H,6,9)
InChIKeyCIQOVTOWENGLRA-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.74
Rot. Bonds1

About 3-(dimethylamino)-1H-imidazole-2-thione

3-(dimethylamino)-1H-imidazole-2-thione (PubChem CID 19434517) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-(dimethylamino)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(dimethylamino)-1H-imidazole-2-thione
PubChem CID19434517
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name3-(dimethylamino)-1H-imidazole-2-thione
SMILESCN(C)n1cc[nH]c1=S
InChIInChI=1S/C5H9N3S/c1-7(2)8-4-3-6-5(8)9/h3-4H,1-2H3,(H,6,9)
InChIKeyCIQOVTOWENGLRA-UHFFFAOYSA-N
XLogP0.74
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(dimethylamino)-1H-imidazole-2-thione?
The IUPAC name of 3-(dimethylamino)-1H-imidazole-2-thione (CID 19434517) is 3-(dimethylamino)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(dimethylamino)-1H-imidazole-2-thione?
The canonical SMILES for 3-(dimethylamino)-1H-imidazole-2-thione is CN(C)n1cc[nH]c1=S.
What is the InChIKey of 3-(dimethylamino)-1H-imidazole-2-thione?
The InChIKey is CIQOVTOWENGLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-7(2)8-4-3-6-5(8)9/h3-4H,1-2H3,(H,6,9).
What are the key properties of 3-(dimethylamino)-1H-imidazole-2-thione?
3-(dimethylamino)-1H-imidazole-2-thione has a molecular weight of 143.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1H-imidazole-2-thione is sourced from PubChem (CID 19434517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).