formylsulfonylformaldehyde;sulfinato sulfite

C2H2O24S9-8 — CID 174827798

IUPACformylsulfonylformaldehyde;sulfinato sulfite
SMILESO=CS(=O)(=O)C=O.O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-]
InChIInChI=1S/C2H2O4S.4H2O5S2/c3-1-7(5,6)2-4;4*1-6(2)5-7(3)4/h1-2H;4*(H,1,2)(H,3,4)/p-8
InChIKeyUJKLSEXIIIMCOS-UHFFFAOYSA-F
MW698.62 g/mol
LogP-6.85
Rot. Bonds10

About formylsulfonylformaldehyde;sulfinato sulfite

formylsulfonylformaldehyde;sulfinato sulfite (PubChem CID 174827798) has the molecular formula C2H2O24S9-8 and a molecular weight of 698.62 g/mol. Its IUPAC name is formylsulfonylformaldehyde;sulfinato sulfite.

Molecular Properties

Compound Nameformylsulfonylformaldehyde;sulfinato sulfite
PubChem CID174827798
Molecular FormulaC2H2O24S9-8
Molecular Weight698.62 g/mol
Exact Mass697.65
IUPAC Nameformylsulfonylformaldehyde;sulfinato sulfite
SMILESO=CS(=O)(=O)C=O.O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-]
InChIInChI=1S/C2H2O4S.4H2O5S2/c3-1-7(5,6)2-4;4*1-6(2)5-7(3)4/h1-2H;4*(H,1,2)(H,3,4)/p-8
InChIKeyUJKLSEXIIIMCOS-UHFFFAOYSA-F
XLogP-6.85
TPSA426.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.62
LogP ≤ 5-6.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formylsulfonylformaldehyde;sulfinato sulfite?
The IUPAC name of formylsulfonylformaldehyde;sulfinato sulfite (CID 174827798) is formylsulfonylformaldehyde;sulfinato sulfite.
What is the SMILES notation for formylsulfonylformaldehyde;sulfinato sulfite?
The canonical SMILES for formylsulfonylformaldehyde;sulfinato sulfite is O=CS(=O)(=O)C=O.O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-].O=S([O-])OS(=O)[O-].
What is the InChIKey of formylsulfonylformaldehyde;sulfinato sulfite?
The InChIKey is UJKLSEXIIIMCOS-UHFFFAOYSA-F. The full InChI is InChI=1S/C2H2O4S.4H2O5S2/c3-1-7(5,6)2-4;4*1-6(2)5-7(3)4/h1-2H;4*(H,1,2)(H,3,4)/p-8.
What are the key properties of formylsulfonylformaldehyde;sulfinato sulfite?
formylsulfonylformaldehyde;sulfinato sulfite has a molecular weight of 698.62 g/mol, XLogP of -6.85, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for formylsulfonylformaldehyde;sulfinato sulfite is sourced from PubChem (CID 174827798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).