1-ethyl-2-methylimidazole;sulfuric acid

C6H12N2O4S — CID 174953824

IUPAC1-ethyl-2-methylimidazole;sulfuric acid
SMILESCCn1ccnc1C.O=S(=O)(O)O
InChIInChI=1S/C6H10N2.H2O4S/c1-3-8-5-4-7-6(8)2;1-5(2,3)4/h4-5H,3H2,1-2H3;(H2,1,2,3,4)
InChIKeyWVFQSPSURLSODF-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.56
Rot. Bonds1

About 1-ethyl-2-methylimidazole;sulfuric acid

1-ethyl-2-methylimidazole;sulfuric acid (PubChem CID 174953824) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-ethyl-2-methylimidazole;sulfuric acid.

Molecular Properties

Compound Name1-ethyl-2-methylimidazole;sulfuric acid
PubChem CID174953824
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name1-ethyl-2-methylimidazole;sulfuric acid
SMILESCCn1ccnc1C.O=S(=O)(O)O
InChIInChI=1S/C6H10N2.H2O4S/c1-3-8-5-4-7-6(8)2;1-5(2,3)4/h4-5H,3H2,1-2H3;(H2,1,2,3,4)
InChIKeyWVFQSPSURLSODF-UHFFFAOYSA-N
XLogP0.56
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
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1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
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1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
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1-ethyl-3-methylpyrazin-2-one
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1-ethyl-2-propylimidazole;4-methylbenzenesulfonic acid
CID 175780532
2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]butanoic acid
CID 105354331
1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
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tris(2-methyl-1-propylimidazole);trihydroiodide
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1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylimidazole;sulfuric acid?
The IUPAC name of 1-ethyl-2-methylimidazole;sulfuric acid (CID 174953824) is 1-ethyl-2-methylimidazole;sulfuric acid.
What is the SMILES notation for 1-ethyl-2-methylimidazole;sulfuric acid?
The canonical SMILES for 1-ethyl-2-methylimidazole;sulfuric acid is CCn1ccnc1C.O=S(=O)(O)O.
What is the InChIKey of 1-ethyl-2-methylimidazole;sulfuric acid?
The InChIKey is WVFQSPSURLSODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.H2O4S/c1-3-8-5-4-7-6(8)2;1-5(2,3)4/h4-5H,3H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 1-ethyl-2-methylimidazole;sulfuric acid?
1-ethyl-2-methylimidazole;sulfuric acid has a molecular weight of 208.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylimidazole;sulfuric acid is sourced from PubChem (CID 174953824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).