indigane;sulfuric acid

H5InO4S — CID 172996619

IUPACindigane;sulfuric acid
SMILESO=S(=O)(O)O.[InH3]
InChIInChI=1S/In.H2O4S.3H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;
InChIKeyHHTSSGWXQMWCFB-UHFFFAOYSA-N
MW215.92 g/mol
LogP-1.84
Rot. Bonds

About indigane;sulfuric acid

indigane;sulfuric acid (PubChem CID 172996619) has the molecular formula H5InO4S and a molecular weight of 215.92 g/mol. Its IUPAC name is indigane;sulfuric acid.

Molecular Properties

Compound Nameindigane;sulfuric acid
PubChem CID172996619
Molecular FormulaH5InO4S
Molecular Weight215.92 g/mol
Exact Mass215.89
IUPAC Nameindigane;sulfuric acid
SMILESO=S(=O)(O)O.[InH3]
InChIInChI=1S/In.H2O4S.3H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;
InChIKeyHHTSSGWXQMWCFB-UHFFFAOYSA-N
XLogP-1.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.92
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of indigane;sulfuric acid?
The IUPAC name of indigane;sulfuric acid (CID 172996619) is indigane;sulfuric acid.
What is the SMILES notation for indigane;sulfuric acid?
The canonical SMILES for indigane;sulfuric acid is O=S(=O)(O)O.[InH3].
What is the InChIKey of indigane;sulfuric acid?
The InChIKey is HHTSSGWXQMWCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/In.H2O4S.3H/c;1-5(2,3)4;;;/h;(H2,1,2,3,4);;;.
What are the key properties of indigane;sulfuric acid?
indigane;sulfuric acid has a molecular weight of 215.92 g/mol, XLogP of -1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indigane;sulfuric acid is sourced from PubChem (CID 172996619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).