3-ethoxy-5-methyl-1H-imidazole-2-thione

C6H10N2OS — CID 24784219

IUPAC3-ethoxy-5-methyl-1H-imidazole-2-thione
SMILESCCOn1cc(C)[nH]c1=S
InChIInChI=1S/C6H10N2OS/c1-3-9-8-4-5(2)7-6(8)10/h4H,3H2,1-2H3,(H,7,10)
InChIKeyWMTQBNRLTACMJG-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.30
Rot. Bonds2

About 3-ethoxy-5-methyl-1H-imidazole-2-thione

3-ethoxy-5-methyl-1H-imidazole-2-thione (PubChem CID 24784219) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-ethoxy-5-methyl-1H-imidazole-2-thione
PubChem CID24784219
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-ethoxy-5-methyl-1H-imidazole-2-thione
SMILESCCOn1cc(C)[nH]c1=S
InChIInChI=1S/C6H10N2OS/c1-3-9-8-4-5(2)7-6(8)10/h4H,3H2,1-2H3,(H,7,10)
InChIKeyWMTQBNRLTACMJG-UHFFFAOYSA-N
XLogP1.30
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.30
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 3-ethoxy-5-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-ethoxy-5-methyl-1H-imidazole-2-thione (CID 24784219) is 3-ethoxy-5-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-ethoxy-5-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-ethoxy-5-methyl-1H-imidazole-2-thione is CCOn1cc(C)[nH]c1=S.
What is the InChIKey of 3-ethoxy-5-methyl-1H-imidazole-2-thione?
The InChIKey is WMTQBNRLTACMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-9-8-4-5(2)7-6(8)10/h4H,3H2,1-2H3,(H,7,10).
What are the key properties of 3-ethoxy-5-methyl-1H-imidazole-2-thione?
3-ethoxy-5-methyl-1H-imidazole-2-thione has a molecular weight of 158.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 24784219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).