hafnium;methanol;sulfate

CH4HfO5S-2 — CID 171061631

IUPAChafnium;methanol;sulfate
SMILESCO.O=S(=O)([O-])[O-].[Hf]
InChIInChI=1S/CH4O.Hf.H2O4S/c1-2;;1-5(2,3)4/h2H,1H3;;(H2,1,2,3,4)/p-2
InChIKeyWRPOCLRSTQXSAE-UHFFFAOYSA-L
MW306.60 g/mol
LogP-1.73
Rot. Bonds

About hafnium;methanol;sulfate

hafnium;methanol;sulfate (PubChem CID 171061631) has the molecular formula CH4HfO5S-2 and a molecular weight of 306.60 g/mol. Its IUPAC name is hafnium;methanol;sulfate.

Molecular Properties

Compound Namehafnium;methanol;sulfate
PubChem CID171061631
Molecular FormulaCH4HfO5S-2
Molecular Weight306.60 g/mol
Exact Mass307.93
IUPAC Namehafnium;methanol;sulfate
SMILESCO.O=S(=O)([O-])[O-].[Hf]
InChIInChI=1S/CH4O.Hf.H2O4S/c1-2;;1-5(2,3)4/h2H,1H3;;(H2,1,2,3,4)/p-2
InChIKeyWRPOCLRSTQXSAE-UHFFFAOYSA-L
XLogP-1.73
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hafnium;methanol;sulfate?
The IUPAC name of hafnium;methanol;sulfate (CID 171061631) is hafnium;methanol;sulfate.
What is the SMILES notation for hafnium;methanol;sulfate?
The canonical SMILES for hafnium;methanol;sulfate is CO.O=S(=O)([O-])[O-].[Hf].
What is the InChIKey of hafnium;methanol;sulfate?
The InChIKey is WRPOCLRSTQXSAE-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O.Hf.H2O4S/c1-2;;1-5(2,3)4/h2H,1H3;;(H2,1,2,3,4)/p-2.
What are the key properties of hafnium;methanol;sulfate?
hafnium;methanol;sulfate has a molecular weight of 306.60 g/mol, XLogP of -1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;methanol;sulfate is sourced from PubChem (CID 171061631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).