hydrogen sulfite;scandium

HO3SSc- — CID 174863397

IUPAChydrogen sulfite;scandium
SMILESO=S([O-])O.[Sc]
InChIInChI=1S/H2O3S.Sc/c1-4(2)3;/h(H2,1,2,3);/p-1
InChIKeyCVAFLZUPGYDYCY-UHFFFAOYSA-M
MW126.03 g/mol
LogP-0.66
Rot. Bonds

About hydrogen sulfite;scandium

hydrogen sulfite;scandium (PubChem CID 174863397) has the molecular formula HO3SSc- and a molecular weight of 126.03 g/mol. Its IUPAC name is hydrogen sulfite;scandium.

Molecular Properties

Compound Namehydrogen sulfite;scandium
PubChem CID174863397
Molecular FormulaHO3SSc-
Molecular Weight126.03 g/mol
Exact Mass125.92
IUPAC Namehydrogen sulfite;scandium
SMILESO=S([O-])O.[Sc]
InChIInChI=1S/H2O3S.Sc/c1-4(2)3;/h(H2,1,2,3);/p-1
InChIKeyCVAFLZUPGYDYCY-UHFFFAOYSA-M
XLogP-0.66
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.03
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;scandium?
The IUPAC name of hydrogen sulfite;scandium (CID 174863397) is hydrogen sulfite;scandium.
What is the SMILES notation for hydrogen sulfite;scandium?
The canonical SMILES for hydrogen sulfite;scandium is O=S([O-])O.[Sc].
What is the InChIKey of hydrogen sulfite;scandium?
The InChIKey is CVAFLZUPGYDYCY-UHFFFAOYSA-M. The full InChI is InChI=1S/H2O3S.Sc/c1-4(2)3;/h(H2,1,2,3);/p-1.
What are the key properties of hydrogen sulfite;scandium?
hydrogen sulfite;scandium has a molecular weight of 126.03 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;scandium is sourced from PubChem (CID 174863397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).