oxidanium;iron;sulfanide;dihydrate

H9Fe4O3S2- — CID 155926568

IUPACoxidanium;iron;sulfanide;dihydrate
SMILESO.O.[Fe].[Fe].[Fe].[Fe].[OH3+].[SH-].[SH-]
InChIInChI=1S/4Fe.3H2O.2H2S/h;;;;5*1H2/p-1
InChIKeyXTRBGPKQSNNDJM-UHFFFAOYSA-M
MW344.58 g/mol
LogP-3.12
Rot. Bonds

About oxidanium;iron;sulfanide;dihydrate

oxidanium;iron;sulfanide;dihydrate (PubChem CID 155926568) has the molecular formula H9Fe4O3S2- and a molecular weight of 344.58 g/mol. Its IUPAC name is oxidanium;iron;sulfanide;dihydrate.

Molecular Properties

Compound Nameoxidanium;iron;sulfanide;dihydrate
PubChem CID155926568
Molecular FormulaH9Fe4O3S2-
Molecular Weight344.58 g/mol
Exact Mass344.74
IUPAC Nameoxidanium;iron;sulfanide;dihydrate
SMILESO.O.[Fe].[Fe].[Fe].[Fe].[OH3+].[SH-].[SH-]
InChIInChI=1S/4Fe.3H2O.2H2S/h;;;;5*1H2/p-1
InChIKeyXTRBGPKQSNNDJM-UHFFFAOYSA-M
XLogP-3.12
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 5-3.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sulfanium;iron;sulfanide;trihydrate
CID 656951
iron;dodecahydrate
CID 173337995
iron;hydrate
CID 173302268
iron;undecahydrate
CID 42626946
iron;trihydrate
CID 56841934
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
iron;trihydrate
CID 173070166
hydron;iron;sulfanide
CID 174785405
CID 175010158
CID 175010158
hafnium;iron;hydrate
CID 172852146
CID 53244352
CID 53244352

Frequently Asked Questions

What is the IUPAC name of oxidanium;iron;sulfanide;dihydrate?
The IUPAC name of oxidanium;iron;sulfanide;dihydrate (CID 155926568) is oxidanium;iron;sulfanide;dihydrate.
What is the SMILES notation for oxidanium;iron;sulfanide;dihydrate?
The canonical SMILES for oxidanium;iron;sulfanide;dihydrate is O.O.[Fe].[Fe].[Fe].[Fe].[OH3+].[SH-].[SH-].
What is the InChIKey of oxidanium;iron;sulfanide;dihydrate?
The InChIKey is XTRBGPKQSNNDJM-UHFFFAOYSA-M. The full InChI is InChI=1S/4Fe.3H2O.2H2S/h;;;;5*1H2/p-1.
What are the key properties of oxidanium;iron;sulfanide;dihydrate?
oxidanium;iron;sulfanide;dihydrate has a molecular weight of 344.58 g/mol, XLogP of -3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxidanium;iron;sulfanide;dihydrate is sourced from PubChem (CID 155926568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).