iron;sulfane;titanium

H2FeSTi — CID 172786170

IUPACiron;sulfane;titanium
SMILESS.[Fe].[Ti]
InChIInChI=1S/Fe.H2S.Ti/h;1H2;
InChIKeyFZOXXBIHICYOPN-UHFFFAOYSA-N
MW137.79 g/mol
LogP0.11
Rot. Bonds

About iron;sulfane;titanium

iron;sulfane;titanium (PubChem CID 172786170) has the molecular formula H2FeSTi and a molecular weight of 137.79 g/mol. Its IUPAC name is iron;sulfane;titanium.

Molecular Properties

Compound Nameiron;sulfane;titanium
PubChem CID172786170
Molecular FormulaH2FeSTi
Molecular Weight137.79 g/mol
Exact Mass137.87
IUPAC Nameiron;sulfane;titanium
SMILESS.[Fe].[Ti]
InChIInChI=1S/Fe.H2S.Ti/h;1H2;
InChIKeyFZOXXBIHICYOPN-UHFFFAOYSA-N
XLogP0.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.79
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;sulfane;titanium?
The IUPAC name of iron;sulfane;titanium (CID 172786170) is iron;sulfane;titanium.
What is the SMILES notation for iron;sulfane;titanium?
The canonical SMILES for iron;sulfane;titanium is S.[Fe].[Ti].
What is the InChIKey of iron;sulfane;titanium?
The InChIKey is FZOXXBIHICYOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.H2S.Ti/h;1H2;.
What are the key properties of iron;sulfane;titanium?
iron;sulfane;titanium has a molecular weight of 137.79 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;sulfane;titanium is sourced from PubChem (CID 172786170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).