CID 58604673

C6H14FeN2O2S2 — CID 58604673

IUPAC—
SMILESCC[S-].CC[S-].[C-]=O.[C-]=O.[Fe+6].[NH2-].[NH2-]
InChIInChI=1S/2C2H6S.2CO.Fe.2H2N/c2*1-2-3;2*1-2;;;/h2*3H,2H2,1H3;;;;2*1H2/q;;2*-1;+6;2*-1/p-2
InChIKeyBHTRTQPHAXFECO-UHFFFAOYSA-L
MW266.17 g/mol
LogP1.74
Rot. Bonds

About CID 58604673

CID 58604673 (PubChem CID 58604673) has the molecular formula C6H14FeN2O2S2 and a molecular weight of 266.17 g/mol.

Molecular Properties

Compound NameCID 58604673
PubChem CID58604673
Molecular FormulaC6H14FeN2O2S2
Molecular Weight266.17 g/mol
Exact Mass265.98
IUPAC Name—
SMILESCC[S-].CC[S-].[C-]=O.[C-]=O.[Fe+6].[NH2-].[NH2-]
InChIInChI=1S/2C2H6S.2CO.Fe.2H2N/c2*1-2-3;2*1-2;;;/h2*3H,2H2,1H3;;;;2*1H2/q;;2*-1;+6;2*-1/p-2
InChIKeyBHTRTQPHAXFECO-UHFFFAOYSA-L
XLogP1.74
TPSA101.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze CID 58604673 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58604673?
The IUPAC name of CID 58604673 (CID 58604673) is not available.
What is the SMILES notation for CID 58604673?
The canonical SMILES for CID 58604673 is CC[S-].CC[S-].[C-]=O.[C-]=O.[Fe+6].[NH2-].[NH2-].
What is the InChIKey of CID 58604673?
The InChIKey is BHTRTQPHAXFECO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6S.2CO.Fe.2H2N/c2*1-2-3;2*1-2;;;/h2*3H,2H2,1H3;;;;2*1H2/q;;2*-1;+6;2*-1/p-2.
What are the key properties of CID 58604673?
CID 58604673 has a molecular weight of 266.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58604673 is sourced from PubChem (CID 58604673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).