1-ethenylimidazole;hydrogen sulfite

C5H7N2O3S- — CID 174466052

IUPAC1-ethenylimidazole;hydrogen sulfite
SMILESC=Cn1ccnc1.O=S([O-])O
InChIInChI=1S/C5H6N2.H2O3S/c1-2-7-4-3-6-5-7;1-4(2)3/h2-5H,1H2;(H2,1,2,3)/p-1
InChIKeyXUAZEPNGPPHNQQ-UHFFFAOYSA-M
MW175.19 g/mol
LogP0.32
Rot. Bonds1

About 1-ethenylimidazole;hydrogen sulfite

1-ethenylimidazole;hydrogen sulfite (PubChem CID 174466052) has the molecular formula C5H7N2O3S- and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-ethenylimidazole;hydrogen sulfite.

Molecular Properties

Compound Name1-ethenylimidazole;hydrogen sulfite
PubChem CID174466052
Molecular FormulaC5H7N2O3S-
Molecular Weight175.19 g/mol
Exact Mass175.02
IUPAC Name1-ethenylimidazole;hydrogen sulfite
SMILESC=Cn1ccnc1.O=S([O-])O
InChIInChI=1S/C5H6N2.H2O3S/c1-2-7-4-3-6-5-7;1-4(2)3/h2-5H,1H2;(H2,1,2,3)/p-1
InChIKeyXUAZEPNGPPHNQQ-UHFFFAOYSA-M
XLogP0.32
TPSA78.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(1-ethenylimidazole);tetrahydrofluoride
CID 173041654
magnesium;1-ethenylimidazole;hydride;hydrochloride
CID 174736374
acetonitrile;1-ethenylimidazole
CID 175188267
octakis(1-ethenylimidazole);bis(nickel(2+));tetraisothiocyanate
CID 139072947
1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one
CID 174665933
1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
CID 139906170
1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
CID 70536973
CID 88514955
CID 88514955
imidazole-1-carbaldehyde
CID 11083832
1-ethenylimidazole;[3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
CID 169424824
1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate
CID 174271151

Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;hydrogen sulfite?
The IUPAC name of 1-ethenylimidazole;hydrogen sulfite (CID 174466052) is 1-ethenylimidazole;hydrogen sulfite.
What is the SMILES notation for 1-ethenylimidazole;hydrogen sulfite?
The canonical SMILES for 1-ethenylimidazole;hydrogen sulfite is C=Cn1ccnc1.O=S([O-])O.
What is the InChIKey of 1-ethenylimidazole;hydrogen sulfite?
The InChIKey is XUAZEPNGPPHNQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2.H2O3S/c1-2-7-4-3-6-5-7;1-4(2)3/h2-5H,1H2;(H2,1,2,3)/p-1.
What are the key properties of 1-ethenylimidazole;hydrogen sulfite?
1-ethenylimidazole;hydrogen sulfite has a molecular weight of 175.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;hydrogen sulfite is sourced from PubChem (CID 174466052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).