sulfanium;iron;sulfanide;trihydrate

H10Fe4O3S2 — CID 656951

IUPACsulfanium;iron;sulfanide;trihydrate
SMILESO.O.O.[Fe].[Fe].[Fe].[Fe].[SH-].[SH3+]
InChIInChI=1S/4Fe.3H2O.2H2S/h;;;;5*1H2
InChIKeyXTRBGPKQSNNDJM-UHFFFAOYSA-N
MW345.59 g/mol
LogP-3.56
Rot. Bonds

About sulfanium;iron;sulfanide;trihydrate

sulfanium;iron;sulfanide;trihydrate (PubChem CID 656951) has the molecular formula H10Fe4O3S2 and a molecular weight of 345.59 g/mol. Its IUPAC name is sulfanium;iron;sulfanide;trihydrate.

Molecular Properties

Compound Namesulfanium;iron;sulfanide;trihydrate
PubChem CID656951
Molecular FormulaH10Fe4O3S2
Molecular Weight345.59 g/mol
Exact Mass345.75
IUPAC Namesulfanium;iron;sulfanide;trihydrate
SMILESO.O.O.[Fe].[Fe].[Fe].[Fe].[SH-].[SH3+]
InChIInChI=1S/4Fe.3H2O.2H2S/h;;;;5*1H2
InChIKeyXTRBGPKQSNNDJM-UHFFFAOYSA-N
XLogP-3.56
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.59
LogP ≤ 5-3.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze sulfanium;iron;sulfanide;trihydrate 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

oxidanium;iron;sulfanide;dihydrate
CID 155926568
iron;undecahydrate
CID 42626946
iron;trihydrate
CID 56841934
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
iron;trihydrate
CID 173070166
trisulfanium;carbanide;iron;iron(2+);molybdenum;sulfanide
CID 102515532
cobalt;iron;hydrate
CID 156591869
iron;λ2-plumbane;hydrate
CID 174833676
hydron;iron;sulfanide
CID 174785405
CID 175010158
CID 175010158
hafnium;iron;hydrate
CID 172852146

Frequently Asked Questions

What is the IUPAC name of sulfanium;iron;sulfanide;trihydrate?
The IUPAC name of sulfanium;iron;sulfanide;trihydrate (CID 656951) is sulfanium;iron;sulfanide;trihydrate.
What is the SMILES notation for sulfanium;iron;sulfanide;trihydrate?
The canonical SMILES for sulfanium;iron;sulfanide;trihydrate is O.O.O.[Fe].[Fe].[Fe].[Fe].[SH-].[SH3+].
What is the InChIKey of sulfanium;iron;sulfanide;trihydrate?
The InChIKey is XTRBGPKQSNNDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/4Fe.3H2O.2H2S/h;;;;5*1H2.
What are the key properties of sulfanium;iron;sulfanide;trihydrate?
sulfanium;iron;sulfanide;trihydrate has a molecular weight of 345.59 g/mol, XLogP of -3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanium;iron;sulfanide;trihydrate is sourced from PubChem (CID 656951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).