CID 15787728

Cl2FeO6S2 — CID 15787728

IUPAC—
SMILESO=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Fe+2]
InChIInChI=1S/2ClHO3S.Fe/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2
InChIKeyCCXRORRHBGKQCA-UHFFFAOYSA-L
MW286.88 g/mol
LogP-0.63
Rot. Bonds

About CID 15787728

CID 15787728 (PubChem CID 15787728) has the molecular formula Cl2FeO6S2 and a molecular weight of 286.88 g/mol.

Molecular Properties

Compound NameCID 15787728
PubChem CID15787728
Molecular FormulaCl2FeO6S2
Molecular Weight286.88 g/mol
Exact Mass285.79
IUPAC Name—
SMILESO=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Fe+2]
InChIInChI=1S/2ClHO3S.Fe/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2
InChIKeyCCXRORRHBGKQCA-UHFFFAOYSA-L
XLogP-0.63
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.88
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 15787728?
The IUPAC name of CID 15787728 (CID 15787728) is not available.
What is the SMILES notation for CID 15787728?
The canonical SMILES for CID 15787728 is O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Fe+2].
What is the InChIKey of CID 15787728?
The InChIKey is CCXRORRHBGKQCA-UHFFFAOYSA-L. The full InChI is InChI=1S/2ClHO3S.Fe/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2.
What are the key properties of CID 15787728?
CID 15787728 has a molecular weight of 286.88 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15787728 is sourced from PubChem (CID 15787728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).