sodium;hydride;1H-imidazol-2-yl sulfite

C3H4N2NaO3S- — CID 174926743

IUPACsodium;hydride;1H-imidazol-2-yl sulfite
SMILESO=S([O-])Oc1ncc[nH]1.[H-].[Na+]
InChIInChI=1S/C3H4N2O3S.Na.H/c6-9(7)8-3-4-1-2-5-3;;/h1-2H,(H,4,5)(H,6,7);;/q;+1;-1/p-1
InChIKeyZSDHPKCMINVXAI-UHFFFAOYSA-M
MW171.13 g/mol
LogP-3.30
Rot. Bonds2

About sodium;hydride;1H-imidazol-2-yl sulfite

sodium;hydride;1H-imidazol-2-yl sulfite (PubChem CID 174926743) has the molecular formula C3H4N2NaO3S- and a molecular weight of 171.13 g/mol. Its IUPAC name is sodium;hydride;1H-imidazol-2-yl sulfite.

Molecular Properties

Compound Namesodium;hydride;1H-imidazol-2-yl sulfite
PubChem CID174926743
Molecular FormulaC3H4N2NaO3S-
Molecular Weight171.13 g/mol
Exact Mass170.98
IUPAC Namesodium;hydride;1H-imidazol-2-yl sulfite
SMILESO=S([O-])Oc1ncc[nH]1.[H-].[Na+]
InChIInChI=1S/C3H4N2O3S.Na.H/c6-9(7)8-3-4-1-2-5-3;;/h1-2H,(H,4,5)(H,6,7);;/q;+1;-1/p-1
InChIKeyZSDHPKCMINVXAI-UHFFFAOYSA-M
XLogP-3.30
TPSA78.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-3.30
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

sodium;hydride;1H-imidazol-2-yl acetate
CID 173104751
1H-imidazol-2-yloxymethanamine
CID 145126650
2-methoxy-1H-imidazole
CID 19348571
1H-imidazol-2-yloxymethanethiol
CID 151803159
1H-imidazol-2-yl 2,2,2-trifluoroacetate
CID 57289417
1-(1H-imidazol-2-yl)ethanesulfinate
CID 174573081
2-(4-nitrophenoxy)-1H-imidazole
CID 123256128
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-[(S)-methylsulfinyl]-1H-imidazole
CID 139179985
O-(1H-imidazol-2-yl) 2-amino-2-oxoethanethioate
CID 88516870
1H-imidazol-2-yl pentanoate
CID 57278917
sodium;2-methyl-1H-imidazole;chloride
CID 174938695

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1H-imidazol-2-yl sulfite?
The IUPAC name of sodium;hydride;1H-imidazol-2-yl sulfite (CID 174926743) is sodium;hydride;1H-imidazol-2-yl sulfite.
What is the SMILES notation for sodium;hydride;1H-imidazol-2-yl sulfite?
The canonical SMILES for sodium;hydride;1H-imidazol-2-yl sulfite is O=S([O-])Oc1ncc[nH]1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1H-imidazol-2-yl sulfite?
The InChIKey is ZSDHPKCMINVXAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2O3S.Na.H/c6-9(7)8-3-4-1-2-5-3;;/h1-2H,(H,4,5)(H,6,7);;/q;+1;-1/p-1.
What are the key properties of sodium;hydride;1H-imidazol-2-yl sulfite?
sodium;hydride;1H-imidazol-2-yl sulfite has a molecular weight of 171.13 g/mol, XLogP of -3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1H-imidazol-2-yl sulfite is sourced from PubChem (CID 174926743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).