dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine

C8H10Cl2FeN2S — CID 20701996

IUPACdichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine
SMILESC/N=C/c1ccc(/C=N/C)s1.Cl[Fe]Cl
InChIInChI=1S/C8H10N2S.2ClH.Fe/c1-9-5-7-3-4-8(11-7)6-10-2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2/b9-5+,10-6+;;;
InChIKeyBULMKAYGCBMUGT-WDSFPQLTSA-L
MW293.00 g/mol
LogP3.22
Rot. Bonds2

About dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine

dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine (PubChem CID 20701996) has the molecular formula C8H10Cl2FeN2S and a molecular weight of 293.00 g/mol. Its IUPAC name is dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine.

Molecular Properties

Compound Namedichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine
PubChem CID20701996
Molecular FormulaC8H10Cl2FeN2S
Molecular Weight293.00 g/mol
Exact Mass291.93
IUPAC Namedichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine
SMILESC/N=C/c1ccc(/C=N/C)s1.Cl[Fe]Cl
InChIInChI=1S/C8H10N2S.2ClH.Fe/c1-9-5-7-3-4-8(11-7)6-10-2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2/b9-5+,10-6+;;;
InChIKeyBULMKAYGCBMUGT-WDSFPQLTSA-L
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine 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 dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine?
The IUPAC name of dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine (CID 20701996) is dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine.
What is the SMILES notation for dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine?
The canonical SMILES for dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine is C/N=C/c1ccc(/C=N/C)s1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine?
The InChIKey is BULMKAYGCBMUGT-WDSFPQLTSA-L. The full InChI is InChI=1S/C8H10N2S.2ClH.Fe/c1-9-5-7-3-4-8(11-7)6-10-2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2/b9-5+,10-6+;;;.
What are the key properties of dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine?
dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine has a molecular weight of 293.00 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;N-methyl-1-[5-(methyliminomethyl)thiophen-2-yl]methanimine is sourced from PubChem (CID 20701996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).