What is the molecular formula of 1-butylsulfonic-3-methylimidazolium hydrogensulfate?

The molecular formula is C8H16N2O7S2.

When was this compound created and last modified?

It was created on 2006-10-26 and last modified on 2023-12-30.

What are some synonyms for 1-butylsulfonic-3-methylimidazolium hydrogensulfate?

Some synonyms include 827320-59-2, 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate, and hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid.

What is the molecular weight of this compound?

The molecular weight is 316.4 g/mol.

What is the InChIKey of this compound?

The InChIKey is IEKJIBPFXKAASL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does this compound have?

It has 2 hydrogen bond donor counts.

What is the exact mass of this compound?

The exact mass is 316.03989320 g/mol.

How many rotatable bond counts does this compound have?

It has 5 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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1-butylsulfonic-3-methylimidazolium hydrogensulfate

Name: 1-butylsulfonic-3-methylimidazolium hydrogensulfate
SKU: ACM827320592
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Catalog NumberACM827320592

CAS Number827320-59-2

CategoryBattery Materials

1-butylsulfonic-3-methylimidazolium hydrogensulfate

IUPAC Name

hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid

Molecular Weight

316.35184

Molecular Formula

C8H16N2S2O7

Canonical SMILES

C[N+]1=CN(C=C1)CCCCS(=O)(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C8H14N2O3S.H₂O4S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)

InChI Key

IEKJIBPFXKAASL-UHFFFAOYSA-N

Purity

≥98%

Application

Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.

Chemical Formula

BSO3HMIM HSO4

Complexity

336

Covalently-Bonded Unit Count

Exact Mass

316.039893g/mol

Formal Charge

Heavy Atom Count

MDL Number

MFCD22372068

Monoisotopic Mass