dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride

C15H33ClN4O6S2-2 — CID 162292962

IUPACdimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride
SMILESCCN1C=CN(C)C1.CCN1C=CN(C)C1.COS(=O)OC.CS(=O)(=O)[O-].[Cl-]
InChIInChI=1S/2C6H12N2.C2H6O3S.CH4O3S.ClH/c2*1-3-8-5-4-7(2)6-8;1-4-6(3)5-2;1-5(2,3)4;/h2*4-5H,3,6H2,1-2H3;1-2H3;1H3,(H,2,3,4);1H/p-2
InChIKeyAXPQZYMYFUSIHA-UHFFFAOYSA-L
MW465.04 g/mol
LogP-2.61
Rot. Bonds4

About dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride

dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride (PubChem CID 162292962) has the molecular formula C15H33ClN4O6S2-2 and a molecular weight of 465.04 g/mol. Its IUPAC name is dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride.

Molecular Properties

Compound Namedimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride
PubChem CID162292962
Molecular FormulaC15H33ClN4O6S2-2
Molecular Weight465.04 g/mol
Exact Mass464.15
IUPAC Namedimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride
SMILESCCN1C=CN(C)C1.CCN1C=CN(C)C1.COS(=O)OC.CS(=O)(=O)[O-].[Cl-]
InChIInChI=1S/2C6H12N2.C2H6O3S.CH4O3S.ClH/c2*1-3-8-5-4-7(2)6-8;1-4-6(3)5-2;1-5(2,3)4;/h2*4-5H,3,6H2,1-2H3;1-2H3;1H3,(H,2,3,4);1H/p-2
InChIKeyAXPQZYMYFUSIHA-UHFFFAOYSA-L
XLogP-2.61
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.04
LogP ≤ 5-2.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methyl-2H-imidazole formate
CID 162292973
cobalt;1-ethyl-3-methyl-2H-imidazole;methanone
CID 174605686
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208
1-ethyl-3-methyl-2H-imidazole;propanoate
CID 162288775
1-butyl-3-methyl-2H-imidazole;1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate
CID 175297657
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
1-ethyl-3-methyl-2H-imidazole;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 171930048
potassium;1-ethyl-3-methyl-2H-imidazole;hexafluorophosphate
CID 174903378
azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
CID 174106655
difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
CID 160727359

Frequently Asked Questions

What is the IUPAC name of dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride?
The IUPAC name of dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride (CID 162292962) is dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride.
What is the SMILES notation for dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride?
The canonical SMILES for dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride is CCN1C=CN(C)C1.CCN1C=CN(C)C1.COS(=O)OC.CS(=O)(=O)[O-].[Cl-].
What is the InChIKey of dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride?
The InChIKey is AXPQZYMYFUSIHA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12N2.C2H6O3S.CH4O3S.ClH/c2*1-3-8-5-4-7(2)6-8;1-4-6(3)5-2;1-5(2,3)4;/h2*4-5H,3,6H2,1-2H3;1-2H3;1H3,(H,2,3,4);1H/p-2.
What are the key properties of dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride?
dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride has a molecular weight of 465.04 g/mol, XLogP of -2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl sulfite;bis(1-ethyl-3-methyl-2H-imidazole);methanesulfonate;chloride is sourced from PubChem (CID 162292962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).