1-ethyl-2-hexylsulfanylimidazole

C11H20N2S — CID 134694412

IUPAC1-ethyl-2-hexylsulfanylimidazole
SMILESCCCCCCSc1nccn1CC
InChIInChI=1S/C11H20N2S/c1-3-5-6-7-10-14-11-12-8-9-13(11)4-2/h8-9H,3-7,10H2,1-2H3
InChIKeyFUCOMNJSHACGKX-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.58
Rot. Bonds7

About 1-ethyl-2-hexylsulfanylimidazole

1-ethyl-2-hexylsulfanylimidazole (PubChem CID 134694412) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-ethyl-2-hexylsulfanylimidazole.

Molecular Properties

Compound Name1-ethyl-2-hexylsulfanylimidazole
PubChem CID134694412
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-ethyl-2-hexylsulfanylimidazole
SMILESCCCCCCSc1nccn1CC
InChIInChI=1S/C11H20N2S/c1-3-5-6-7-10-14-11-12-8-9-13(11)4-2/h8-9H,3-7,10H2,1-2H3
InChIKeyFUCOMNJSHACGKX-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hexylsulfanylimidazole?
The IUPAC name of 1-ethyl-2-hexylsulfanylimidazole (CID 134694412) is 1-ethyl-2-hexylsulfanylimidazole.
What is the SMILES notation for 1-ethyl-2-hexylsulfanylimidazole?
The canonical SMILES for 1-ethyl-2-hexylsulfanylimidazole is CCCCCCSc1nccn1CC.
What is the InChIKey of 1-ethyl-2-hexylsulfanylimidazole?
The InChIKey is FUCOMNJSHACGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-5-6-7-10-14-11-12-8-9-13(11)4-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-ethyl-2-hexylsulfanylimidazole?
1-ethyl-2-hexylsulfanylimidazole has a molecular weight of 212.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hexylsulfanylimidazole is sourced from PubChem (CID 134694412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).