3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione

C10H16N2S — CID 130620513

IUPAC3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione
SMILESCCC(C1CC1)n1c(C)c[nH]c1=S
InChIInChI=1S/C10H16N2S/c1-3-9(8-4-5-8)12-7(2)6-11-10(12)13/h6,8-9H,3-5H2,1-2H3,(H,11,13)
InChIKeyYYOGTGDGFNCTQT-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.22
Rot. Bonds3

About 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione

3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione (PubChem CID 130620513) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione
PubChem CID130620513
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione
SMILESCCC(C1CC1)n1c(C)c[nH]c1=S
InChIInChI=1S/C10H16N2S/c1-3-9(8-4-5-8)12-7(2)6-11-10(12)13/h6,8-9H,3-5H2,1-2H3,(H,11,13)
InChIKeyYYOGTGDGFNCTQT-UHFFFAOYSA-N
XLogP3.22
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.22
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 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione (CID 130620513) is 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione is CCC(C1CC1)n1c(C)c[nH]c1=S.
What is the InChIKey of 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione?
The InChIKey is YYOGTGDGFNCTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-9(8-4-5-8)12-7(2)6-11-10(12)13/h6,8-9H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione?
3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropyl)-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 130620513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).