ethanethiolate;bis(iron(2+));iron(4+);sulfanide

C8H24Fe3S8 — CID 20805456

IUPACethanethiolate;bis(iron(2+));iron(4+);sulfanide
SMILESCC[S-].CC[S-].CC[S-].CC[S-].[Fe+2].[Fe+2].[Fe+4].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/4C2H6S.3Fe.4H2S/c4*1-2-3;;;;;;;/h4*3H,2H2,1H3;;;;4*1H2/q;;;;2*+2;+4;;;;/p-8
InChIKeyCTISKLMWRIASPK-UHFFFAOYSA-F
MW544.35 g/mol
LogP1.12
Rot. Bonds

About ethanethiolate;bis(iron(2+));iron(4+);sulfanide

ethanethiolate;bis(iron(2+));iron(4+);sulfanide (PubChem CID 20805456) has the molecular formula C8H24Fe3S8 and a molecular weight of 544.35 g/mol. Its IUPAC name is ethanethiolate;bis(iron(2+));iron(4+);sulfanide.

Molecular Properties

Compound Nameethanethiolate;bis(iron(2+));iron(4+);sulfanide
PubChem CID20805456
Molecular FormulaC8H24Fe3S8
Molecular Weight544.35 g/mol
Exact Mass543.77
IUPAC Nameethanethiolate;bis(iron(2+));iron(4+);sulfanide
SMILESCC[S-].CC[S-].CC[S-].CC[S-].[Fe+2].[Fe+2].[Fe+4].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/4C2H6S.3Fe.4H2S/c4*1-2-3;;;;;;;/h4*3H,2H2,1H3;;;;4*1H2/q;;;;2*+2;+4;;;;/p-8
InChIKeyCTISKLMWRIASPK-UHFFFAOYSA-F
XLogP1.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

ethanethiolate;iron;molybdenum;sulfanide
CID 6419084
ethanethiolate;sulfanylmethanethiolate;yttrium
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CID 58604673
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carbanide;2-methylbutane;yttrium
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2-methylbutane;phosphane;tungsten;yttrium
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CID 102601027
docosane-1-thiolate
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sodium propane
CID 18410128
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CID 18172989
propane;ruthenium
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Frequently Asked Questions

What is the IUPAC name of ethanethiolate;bis(iron(2+));iron(4+);sulfanide?
The IUPAC name of ethanethiolate;bis(iron(2+));iron(4+);sulfanide (CID 20805456) is ethanethiolate;bis(iron(2+));iron(4+);sulfanide.
What is the SMILES notation for ethanethiolate;bis(iron(2+));iron(4+);sulfanide?
The canonical SMILES for ethanethiolate;bis(iron(2+));iron(4+);sulfanide is CC[S-].CC[S-].CC[S-].CC[S-].[Fe+2].[Fe+2].[Fe+4].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of ethanethiolate;bis(iron(2+));iron(4+);sulfanide?
The InChIKey is CTISKLMWRIASPK-UHFFFAOYSA-F. The full InChI is InChI=1S/4C2H6S.3Fe.4H2S/c4*1-2-3;;;;;;;/h4*3H,2H2,1H3;;;;4*1H2/q;;;;2*+2;+4;;;;/p-8.
What are the key properties of ethanethiolate;bis(iron(2+));iron(4+);sulfanide?
ethanethiolate;bis(iron(2+));iron(4+);sulfanide has a molecular weight of 544.35 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiolate;bis(iron(2+));iron(4+);sulfanide is sourced from PubChem (CID 20805456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).