sulfuric acid;trichloroiron

H2Cl3FeO4S — CID 162013625

IUPACsulfuric acid;trichloroiron
SMILESCl[Fe](Cl)Cl.O=S(=O)(O)O
InChIInChI=1S/3ClH.Fe.H2O4S/c;;;;1-5(2,3)4/h3*1H;;(H2,1,2,3,4)/q;;;+3;/p-3
InChIKeyYTURPPSYNKKPBU-UHFFFAOYSA-K
MW260.28 g/mol
LogP1.41
Rot. Bonds

About sulfuric acid;trichloroiron

sulfuric acid;trichloroiron (PubChem CID 162013625) has the molecular formula H2Cl3FeO4S and a molecular weight of 260.28 g/mol. Its IUPAC name is sulfuric acid;trichloroiron.

Molecular Properties

Compound Namesulfuric acid;trichloroiron
PubChem CID162013625
Molecular FormulaH2Cl3FeO4S
Molecular Weight260.28 g/mol
Exact Mass258.81
IUPAC Namesulfuric acid;trichloroiron
SMILESCl[Fe](Cl)Cl.O=S(=O)(O)O
InChIInChI=1S/3ClH.Fe.H2O4S/c;;;;1-5(2,3)4/h3*1H;;(H2,1,2,3,4)/q;;;+3;/p-3
InChIKeyYTURPPSYNKKPBU-UHFFFAOYSA-K
XLogP1.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sulfuric acid;trichloroiron 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

beryllium;hydride;sulfuric acid
CID 174664127
lithium;sulfuric acid;fluoride
CID 161470529
indigane;sulfuric acid
CID 172996619
λ2-plumbane;sulfuric acid
CID 172995537
CID 173398648
CID 173398648
sulfuric acid;titanium
CID 22253908
cerium;sulfuric acid
CID 45051640
sulfuric acid;zinc
CID 173312320
bismuthane;sulfuric acid
CID 174861750
(barium(2+));sulfuric acid
CID 173434226
methane;sulfuric acid
CID 174865737
alumane;sulfuric acid
CID 173042837

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;trichloroiron?
The IUPAC name of sulfuric acid;trichloroiron (CID 162013625) is sulfuric acid;trichloroiron.
What is the SMILES notation for sulfuric acid;trichloroiron?
The canonical SMILES for sulfuric acid;trichloroiron is Cl[Fe](Cl)Cl.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;trichloroiron?
The InChIKey is YTURPPSYNKKPBU-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClH.Fe.H2O4S/c;;;;1-5(2,3)4/h3*1H;;(H2,1,2,3,4)/q;;;+3;/p-3.
What are the key properties of sulfuric acid;trichloroiron?
sulfuric acid;trichloroiron has a molecular weight of 260.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;trichloroiron is sourced from PubChem (CID 162013625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).