borono sulfite

H2BO5S- — CID 138978625

IUPACborono sulfite
SMILESO=S([O-])OB(O)O
InChIInChI=1S/BH3O5S/c2-1(3)6-7(4)5/h2-3H,(H,4,5)/p-1
InChIKeyQTGFJSNKJGESEJ-UHFFFAOYSA-M
MW124.89 g/mol
LogP-2.23
Rot. Bonds2

About borono sulfite

borono sulfite (PubChem CID 138978625) has the molecular formula H2BO5S- and a molecular weight of 124.89 g/mol. Its IUPAC name is borono sulfite.

Molecular Properties

Compound Nameborono sulfite
PubChem CID138978625
Molecular FormulaH2BO5S-
Molecular Weight124.89 g/mol
Exact Mass124.97
IUPAC Nameborono sulfite
SMILESO=S([O-])OB(O)O
InChIInChI=1S/BH3O5S/c2-1(3)6-7(4)5/h2-3H,(H,4,5)/p-1
InChIKeyQTGFJSNKJGESEJ-UHFFFAOYSA-M
XLogP-2.23
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.89
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of borono sulfite?
The IUPAC name of borono sulfite (CID 138978625) is borono sulfite.
What is the SMILES notation for borono sulfite?
The canonical SMILES for borono sulfite is O=S([O-])OB(O)O.
What is the InChIKey of borono sulfite?
The InChIKey is QTGFJSNKJGESEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/BH3O5S/c2-1(3)6-7(4)5/h2-3H,(H,4,5)/p-1.
What are the key properties of borono sulfite?
borono sulfite has a molecular weight of 124.89 g/mol, XLogP of -2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for borono sulfite is sourced from PubChem (CID 138978625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).