bis(iron(3+));trisulfide;hydrate

H2Fe2OS3 — CID 172996049

IUPACbis(iron(3+));trisulfide;hydrate
SMILESO.[Fe+3].[Fe+3].[S-2].[S-2].[S-2]
InChIInChI=1S/2Fe.H2O.3S/h;;1H2;;;/q2*+3;;3*-2
InChIKeyFOOZHCYCCXRSCQ-UHFFFAOYSA-N
MW225.91 g/mol
LogP-0.84
Rot. Bonds

About bis(iron(3+));trisulfide;hydrate

bis(iron(3+));trisulfide;hydrate (PubChem CID 172996049) has the molecular formula H2Fe2OS3 and a molecular weight of 225.91 g/mol. Its IUPAC name is bis(iron(3+));trisulfide;hydrate.

Molecular Properties

Compound Namebis(iron(3+));trisulfide;hydrate
PubChem CID172996049
Molecular FormulaH2Fe2OS3
Molecular Weight225.91 g/mol
Exact Mass225.80
IUPAC Namebis(iron(3+));trisulfide;hydrate
SMILESO.[Fe+3].[Fe+3].[S-2].[S-2].[S-2]
InChIInChI=1S/2Fe.H2O.3S/h;;1H2;;;/q2*+3;;3*-2
InChIKeyFOOZHCYCCXRSCQ-UHFFFAOYSA-N
XLogP-0.84
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.91
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(iron(3+));trisulfide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iron(3+);heptahydrate
CID 159334620
iron(3+) disulfide
CID 138395200
nickel(2+);sulfide;hexahydrate
CID 173167200
arsane;bis(iron(3+));trisulfide
CID 173138492
azanium;iron(3+);trihydrate
CID 21475489
barium(2+);sulfide;hydrate
CID 173457615
hydron;iron(3+);dihydrate
CID 161394909
iron(2+);sulfide;hydrate
CID 172996048
iron(3+);trifluoride;trihydrate
CID 44717421
trisodium;sulfide;hydrate
CID 173221948
chromium;bis(iron(3+));hexahydroxide;hexahydrate
CID 170839029
cadmium(2+);sulfane;sulfide;hydrate
CID 172784725

Frequently Asked Questions

What is the IUPAC name of bis(iron(3+));trisulfide;hydrate?
The IUPAC name of bis(iron(3+));trisulfide;hydrate (CID 172996049) is bis(iron(3+));trisulfide;hydrate.
What is the SMILES notation for bis(iron(3+));trisulfide;hydrate?
The canonical SMILES for bis(iron(3+));trisulfide;hydrate is O.[Fe+3].[Fe+3].[S-2].[S-2].[S-2].
What is the InChIKey of bis(iron(3+));trisulfide;hydrate?
The InChIKey is FOOZHCYCCXRSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.H2O.3S/h;;1H2;;;/q2*+3;;3*-2.
What are the key properties of bis(iron(3+));trisulfide;hydrate?
bis(iron(3+));trisulfide;hydrate has a molecular weight of 225.91 g/mol, XLogP of -0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iron(3+));trisulfide;hydrate is sourced from PubChem (CID 172996049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).