3-methyl-4,5-dipropyl-1H-imidazole-2-thione

C10H18N2S — CID 10262155

IUPAC3-methyl-4,5-dipropyl-1H-imidazole-2-thione
SMILESCCCc1[nH]c(=S)n(C)c1CCC
InChIInChI=1S/C10H18N2S/c1-4-6-8-9(7-5-2)12(3)10(13)11-8/h4-7H2,1-3H3,(H,11,13)
InChIKeyZZCXLPZEJWABEY-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.99
Rot. Bonds4

About 3-methyl-4,5-dipropyl-1H-imidazole-2-thione

3-methyl-4,5-dipropyl-1H-imidazole-2-thione (PubChem CID 10262155) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-methyl-4,5-dipropyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-methyl-4,5-dipropyl-1H-imidazole-2-thione
PubChem CID10262155
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-methyl-4,5-dipropyl-1H-imidazole-2-thione
SMILESCCCc1[nH]c(=S)n(C)c1CCC
InChIInChI=1S/C10H18N2S/c1-4-6-8-9(7-5-2)12(3)10(13)11-8/h4-7H2,1-3H3,(H,11,13)
InChIKeyZZCXLPZEJWABEY-UHFFFAOYSA-N
XLogP2.99
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.99
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-methyl-4,5-dipropyl-1H-imidazole-2-thione?
The IUPAC name of 3-methyl-4,5-dipropyl-1H-imidazole-2-thione (CID 10262155) is 3-methyl-4,5-dipropyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-methyl-4,5-dipropyl-1H-imidazole-2-thione?
The canonical SMILES for 3-methyl-4,5-dipropyl-1H-imidazole-2-thione is CCCc1[nH]c(=S)n(C)c1CCC.
What is the InChIKey of 3-methyl-4,5-dipropyl-1H-imidazole-2-thione?
The InChIKey is ZZCXLPZEJWABEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-6-8-9(7-5-2)12(3)10(13)11-8/h4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-4,5-dipropyl-1H-imidazole-2-thione?
3-methyl-4,5-dipropyl-1H-imidazole-2-thione has a molecular weight of 198.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dipropyl-1H-imidazole-2-thione is sourced from PubChem (CID 10262155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).