ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole

C10H22N2O4S — CID 175001362

IUPACethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(CC)C1.CCOS(=O)(=O)O
InChIInChI=1S/C8H16N2.C2H6O4S/c1-3-5-10-7-6-9(4-2)8-10;1-2-6-7(3,4)5/h6-7H,3-5,8H2,1-2H3;2H2,1H3,(H,3,4,5)
InChIKeyGTWZXTJQPHZHFE-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.29
Rot. Bonds5

About ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole

ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole (PubChem CID 175001362) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Nameethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole
PubChem CID175001362
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Nameethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(CC)C1.CCOS(=O)(=O)O
InChIInChI=1S/C8H16N2.C2H6O4S/c1-3-5-10-7-6-9(4-2)8-10;1-2-6-7(3,4)5/h6-7H,3-5,8H2,1-2H3;2H2,1H3,(H,3,4,5)
InChIKeyGTWZXTJQPHZHFE-UHFFFAOYSA-N
XLogP1.29
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methyl-2H-imidazole;sulfuric acid
CID 46898661
2-methyl-1,3-dipropyl-2H-imidazole;sulfuric acid
CID 67153869
1-butyl-2,3-dimethyl-2H-imidazole;sulfuric acid
CID 68973781
1-butyl-3-ethyl-2H-imidazole;sulfuric acid
CID 69339222
4-(3-methyl-2H-imidazol-1-yl)butan-1-ol;sulfuric acid
CID 90238398
1-ethyl-3-methyl-2H-imidazole;methyl hydrogen sulfate
CID 118597111
(1-butyl-3-methyl-2H-imidazol-1-ium-1-yl)methyl sulfate
CID 134519161
(1-butyl-3-methyl-2H-imidazol-2-yl) hydrogen sulfate
CID 154000237
diethyl sulfate;1-ethyl-3-methyl-2H-imidazole
CID 156475384
methyl hydrogen sulfate;1-methyl-3-propyl-2H-imidazole
CID 157134323
butyl hydrogen sulfate;1-ethyl-3-methyl-2H-imidazole
CID 157313123
butyl hydrogen sulfate;1-hexyl-3-methyl-2H-imidazole
CID 158061218

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole?
The IUPAC name of ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole (CID 175001362) is ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole.
What is the SMILES notation for ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole?
The canonical SMILES for ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole is CCCN1C=CN(CC)C1.CCOS(=O)(=O)O.
What is the InChIKey of ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole?
The InChIKey is GTWZXTJQPHZHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2H6O4S/c1-3-5-10-7-6-9(4-2)8-10;1-2-6-7(3,4)5/h6-7H,3-5,8H2,1-2H3;2H2,1H3,(H,3,4,5).
What are the key properties of ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole?
ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole has a molecular weight of 266.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen sulfate;1-ethyl-3-propyl-2H-imidazole is sourced from PubChem (CID 175001362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).