1-(5-methyl-1H-imidazol-4-yl)propane-1-thione

C7H10N2S — CID 54568061

IUPAC1-(5-methyl-1H-imidazol-4-yl)propane-1-thione
SMILESCCC(=S)c1nc[nH]c1C
InChIInChI=1S/C7H10N2S/c1-3-6(10)7-5(2)8-4-9-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyJSLXAGNRVYTSJO-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.85
Rot. Bonds2

About 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione

1-(5-methyl-1H-imidazol-4-yl)propane-1-thione (PubChem CID 54568061) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione.

Molecular Properties

Compound Name1-(5-methyl-1H-imidazol-4-yl)propane-1-thione
PubChem CID54568061
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-(5-methyl-1H-imidazol-4-yl)propane-1-thione
SMILESCCC(=S)c1nc[nH]c1C
InChIInChI=1S/C7H10N2S/c1-3-6(10)7-5(2)8-4-9-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyJSLXAGNRVYTSJO-UHFFFAOYSA-N
XLogP1.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione?
The IUPAC name of 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione (CID 54568061) is 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione.
What is the SMILES notation for 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione?
The canonical SMILES for 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione is CCC(=S)c1nc[nH]c1C.
What is the InChIKey of 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione?
The InChIKey is JSLXAGNRVYTSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-6(10)7-5(2)8-4-9-7/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione?
1-(5-methyl-1H-imidazol-4-yl)propane-1-thione has a molecular weight of 154.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-imidazol-4-yl)propane-1-thione is sourced from PubChem (CID 54568061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).