4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione

C8H14N2OS — CID 81338775

IUPAC4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCOC
InChIInChI=1S/C8H14N2OS/c1-3-7-6-9-8(12)10(7)4-5-11-2/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeyYEMLTVHEZJBDPY-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.75
Rot. Bonds4

About 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione

4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione (PubChem CID 81338775) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione
PubChem CID81338775
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCOC
InChIInChI=1S/C8H14N2OS/c1-3-7-6-9-8(12)10(7)4-5-11-2/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeyYEMLTVHEZJBDPY-UHFFFAOYSA-N
XLogP1.75
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.75
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 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione (CID 81338775) is 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1CCOC.
What is the InChIKey of 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
The InChIKey is YEMLTVHEZJBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-7-6-9-8(12)10(7)4-5-11-2/h6H,3-5H2,1-2H3,(H,9,12).
What are the key properties of 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione?
4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione has a molecular weight of 186.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methoxyethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81338775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).