5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione

C11H18N2S — CID 81335279

IUPAC5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
SMILESCc1cn(C2C(C)(C)C2(C)C)c(=S)[nH]1
InChIInChI=1S/C11H18N2S/c1-7-6-13(9(14)12-7)8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,12,14)
InChIKeyLSZZLICWQXTWFF-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.46
Rot. Bonds1

About 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione

5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione (PubChem CID 81335279) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
PubChem CID81335279
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione
SMILESCc1cn(C2C(C)(C)C2(C)C)c(=S)[nH]1
InChIInChI=1S/C11H18N2S/c1-7-6-13(9(14)12-7)8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,12,14)
InChIKeyLSZZLICWQXTWFF-UHFFFAOYSA-N
XLogP3.46
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.46
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 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione (CID 81335279) is 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione is Cc1cn(C2C(C)(C)C2(C)C)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
The InChIKey is LSZZLICWQXTWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7-6-13(9(14)12-7)8-10(2,3)11(8,4)5/h6,8H,1-5H3,(H,12,14).
What are the key properties of 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione?
5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).