CID 134926567

C16H11Fe4O12STe2- — CID 134926567

IUPAC—
SMILESCC[Te].CC[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe].[Fe].[SH-]
InChIInChI=1S/2C2H5Te.12CO.4Fe.H2S/c2*1-2-3;12*1-2;;;;;/h2*2H2,1H3;;;;;;;;;;;;;;;;;1H2/p-1
InChIKeyPVJBNKISNXCCGO-UHFFFAOYSA-M
MW905.90 g/mol
LogP0.46
Rot. Bonds

About CID 134926567

CID 134926567 (PubChem CID 134926567) has the molecular formula C16H11Fe4O12STe2- and a molecular weight of 905.90 g/mol.

Molecular Properties

Compound NameCID 134926567
PubChem CID134926567
Molecular FormulaC16H11Fe4O12STe2-
Molecular Weight905.90 g/mol
Exact Mass910.55
IUPAC Name—
SMILESCC[Te].CC[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe].[Fe].[SH-]
InChIInChI=1S/2C2H5Te.12CO.4Fe.H2S/c2*1-2-3;12*1-2;;;;;/h2*2H2,1H3;;;;;;;;;;;;;;;;;1H2/p-1
InChIKeyPVJBNKISNXCCGO-UHFFFAOYSA-M
XLogP0.46
TPSA238.80 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500905.90
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 CID 134926567 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

CID 134925864
CID 134925864
CID 134926998
CID 134926998
carbon monoxide;ethanol
CID 173458228
carbon monoxide;cyclopentane;iron;propane
CID 23230162
carbanide;carbon monoxide;iron
CID 164669797
carbon monoxide;cobalt;tetraethylazanium
CID 131852192
CID 134928832
CID 134928832
diethylsilane;methane
CID 158651980
diethylsilane;hydron
CID 174506461
ethanethiolate;iron;molybdenum;sulfanide
CID 6419084
CID 134896690
CID 134896690
dipotassium;carbon monoxide;iron;mercury(2+)
CID 10941108

Frequently Asked Questions

What is the IUPAC name of CID 134926567?
The IUPAC name of CID 134926567 (CID 134926567) is not available.
What is the SMILES notation for CID 134926567?
The canonical SMILES for CID 134926567 is CC[Te].CC[Te].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe].[Fe].[SH-].
What is the InChIKey of CID 134926567?
The InChIKey is PVJBNKISNXCCGO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H5Te.12CO.4Fe.H2S/c2*1-2-3;12*1-2;;;;;/h2*2H2,1H3;;;;;;;;;;;;;;;;;1H2/p-1.
What are the key properties of CID 134926567?
CID 134926567 has a molecular weight of 905.90 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134926567 is sourced from PubChem (CID 134926567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).