1-ethyl-2-methyl-4H-imidazole-5-thione

C6H10N2S — CID 58181065

IUPAC1-ethyl-2-methyl-4H-imidazole-5-thione
SMILESCCN1C(=S)CN=C1C
InChIInChI=1S/C6H10N2S/c1-3-8-5(2)7-4-6(8)9/h3-4H2,1-2H3
InChIKeyVHCRFEQVHZFLGG-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.07
Rot. Bonds1

About 1-ethyl-2-methyl-4H-imidazole-5-thione

1-ethyl-2-methyl-4H-imidazole-5-thione (PubChem CID 58181065) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4H-imidazole-5-thione.

Molecular Properties

Compound Name1-ethyl-2-methyl-4H-imidazole-5-thione
PubChem CID58181065
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name1-ethyl-2-methyl-4H-imidazole-5-thione
SMILESCCN1C(=S)CN=C1C
InChIInChI=1S/C6H10N2S/c1-3-8-5(2)7-4-6(8)9/h3-4H2,1-2H3
InChIKeyVHCRFEQVHZFLGG-UHFFFAOYSA-N
XLogP1.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
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 1-ethyl-2-methyl-4H-imidazole-5-thione?
The IUPAC name of 1-ethyl-2-methyl-4H-imidazole-5-thione (CID 58181065) is 1-ethyl-2-methyl-4H-imidazole-5-thione.
What is the SMILES notation for 1-ethyl-2-methyl-4H-imidazole-5-thione?
The canonical SMILES for 1-ethyl-2-methyl-4H-imidazole-5-thione is CCN1C(=S)CN=C1C.
What is the InChIKey of 1-ethyl-2-methyl-4H-imidazole-5-thione?
The InChIKey is VHCRFEQVHZFLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-8-5(2)7-4-6(8)9/h3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-4H-imidazole-5-thione?
1-ethyl-2-methyl-4H-imidazole-5-thione has a molecular weight of 142.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4H-imidazole-5-thione is sourced from PubChem (CID 58181065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).