CID 15787731

Cl2O6S2Zn — CID 15787731

IUPAC—
SMILESO=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Zn+2]
InChIInChI=1S/2ClHO3S.Zn/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2
InChIKeyYWUPLNXEYLFVNL-UHFFFAOYSA-L
MW296.42 g/mol
LogP-0.63
Rot. Bonds

About CID 15787731

CID 15787731 (PubChem CID 15787731) has the molecular formula Cl2O6S2Zn and a molecular weight of 296.42 g/mol.

Molecular Properties

Compound NameCID 15787731
PubChem CID15787731
Molecular FormulaCl2O6S2Zn
Molecular Weight296.42 g/mol
Exact Mass293.78
IUPAC Name—
SMILESO=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Zn+2]
InChIInChI=1S/2ClHO3S.Zn/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2
InChIKeyYWUPLNXEYLFVNL-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 ≤ 500296.42
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 15787731?
The IUPAC name of CID 15787731 (CID 15787731) is not available.
What is the SMILES notation for CID 15787731?
The canonical SMILES for CID 15787731 is O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Zn+2].
What is the InChIKey of CID 15787731?
The InChIKey is YWUPLNXEYLFVNL-UHFFFAOYSA-L. The full InChI is InChI=1S/2ClHO3S.Zn/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2.
What are the key properties of CID 15787731?
CID 15787731 has a molecular weight of 296.42 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 15787731 is sourced from PubChem (CID 15787731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).