CID 173158189

H24Cl2Ni3O18S2 — CID 173158189

IUPAC—
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Ni+2].[Ni].[Ni]
InChIInChI=1S/2ClHO3S.3Ni.12H2O/c2*1-5(2,3)4;;;;;;;;;;;;;;;/h2*(H,2,3,4);;;;12*1H2/q;;;;+2;;;;;;;;;;;;/p-2
InChIKeyTYWIADKJKAYNOW-UHFFFAOYSA-L
MW623.29 g/mol
LogP-10.53
Rot. Bonds

About CID 173158189

CID 173158189 (PubChem CID 173158189) has the molecular formula H24Cl2Ni3O18S2 and a molecular weight of 623.29 g/mol.

Molecular Properties

Compound NameCID 173158189
PubChem CID173158189
Molecular FormulaH24Cl2Ni3O18S2
Molecular Weight623.29 g/mol
Exact Mass619.78
IUPAC Name—
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Ni+2].[Ni].[Ni]
InChIInChI=1S/2ClHO3S.3Ni.12H2O/c2*1-5(2,3)4;;;;;;;;;;;;;;;/h2*(H,2,3,4);;;;12*1H2/q;;;;+2;;;;;;;;;;;;/p-2
InChIKeyTYWIADKJKAYNOW-UHFFFAOYSA-L
XLogP-10.53
TPSA492.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.29
LogP ≤ 5-10.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 122706784
sodium;iron(2+);hypochlorite;sulfate
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Frequently Asked Questions

What is the IUPAC name of CID 173158189?
The IUPAC name of CID 173158189 (CID 173158189) is not available.
What is the SMILES notation for CID 173158189?
The canonical SMILES for CID 173158189 is O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Ni+2].[Ni].[Ni].
What is the InChIKey of CID 173158189?
The InChIKey is TYWIADKJKAYNOW-UHFFFAOYSA-L. The full InChI is InChI=1S/2ClHO3S.3Ni.12H2O/c2*1-5(2,3)4;;;;;;;;;;;;;;;/h2*(H,2,3,4);;;;12*1H2/q;;;;+2;;;;;;;;;;;;/p-2.
What are the key properties of CID 173158189?
CID 173158189 has a molecular weight of 623.29 g/mol, XLogP of -10.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173158189 is sourced from PubChem (CID 173158189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).