hydron;iron;sulfanide

H2FeS — CID 174785405

IUPAChydron;iron;sulfanide
SMILES[Fe].[H+].[SH-]
InChIInChI=1S/Fe.H2S/h;1H2
InChIKeyUEAPXUBSQXHZRE-UHFFFAOYSA-N
MW89.93 g/mol
LogP-0.16
Rot. Bonds

About hydron;iron;sulfanide

hydron;iron;sulfanide (PubChem CID 174785405) has the molecular formula H2FeS and a molecular weight of 89.93 g/mol. Its IUPAC name is hydron;iron;sulfanide.

Molecular Properties

Compound Namehydron;iron;sulfanide
PubChem CID174785405
Molecular FormulaH2FeS
Molecular Weight89.93 g/mol
Exact Mass89.92
IUPAC Namehydron;iron;sulfanide
SMILES[Fe].[H+].[SH-]
InChIInChI=1S/Fe.H2S/h;1H2
InChIKeyUEAPXUBSQXHZRE-UHFFFAOYSA-N
XLogP-0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.93
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of hydron;iron;sulfanide?
The IUPAC name of hydron;iron;sulfanide (CID 174785405) is hydron;iron;sulfanide.
What is the SMILES notation for hydron;iron;sulfanide?
The canonical SMILES for hydron;iron;sulfanide is [Fe].[H+].[SH-].
What is the InChIKey of hydron;iron;sulfanide?
The InChIKey is UEAPXUBSQXHZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.H2S/h;1H2.
What are the key properties of hydron;iron;sulfanide?
hydron;iron;sulfanide has a molecular weight of 89.93 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;iron;sulfanide is sourced from PubChem (CID 174785405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).