4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole

C10H18N2S — CID 122463115

IUPAC4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole
SMILESCCSCCc1nc(CC)cn1C
InChIInChI=1S/C10H18N2S/c1-4-9-8-12(3)10(11-9)6-7-13-5-2/h8H,4-7H2,1-3H3
InChIKeySXTKGVNLAVKTCX-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.28
Rot. Bonds5

About 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole

4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole (PubChem CID 122463115) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole.

Molecular Properties

Compound Name4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole
PubChem CID122463115
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole
SMILESCCSCCc1nc(CC)cn1C
InChIInChI=1S/C10H18N2S/c1-4-9-8-12(3)10(11-9)6-7-13-5-2/h8H,4-7H2,1-3H3
InChIKeySXTKGVNLAVKTCX-UHFFFAOYSA-N
XLogP2.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.28
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 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole?
The IUPAC name of 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole (CID 122463115) is 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole.
What is the SMILES notation for 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole?
The canonical SMILES for 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole is CCSCCc1nc(CC)cn1C.
What is the InChIKey of 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole?
The InChIKey is SXTKGVNLAVKTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-9-8-12(3)10(11-9)6-7-13-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole?
4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole has a molecular weight of 198.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-ethylsulfanylethyl)-1-methylimidazole is sourced from PubChem (CID 122463115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).