sulfane;sulfuric acid;hydrate

H6O5S2 — CID 172737494

IUPACsulfane;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.S
InChIInChI=1S/H2O4S.H2O.H2S/c1-5(2,3)4;;/h(H2,1,2,3,4);2*1H2
InChIKeyIQGSNJBXTVLZAD-UHFFFAOYSA-N
MW150.18 g/mol
LogP-1.36
Rot. Bonds

About sulfane;sulfuric acid;hydrate

sulfane;sulfuric acid;hydrate (PubChem CID 172737494) has the molecular formula H6O5S2 and a molecular weight of 150.18 g/mol. Its IUPAC name is sulfane;sulfuric acid;hydrate.

Molecular Properties

Compound Namesulfane;sulfuric acid;hydrate
PubChem CID172737494
Molecular FormulaH6O5S2
Molecular Weight150.18 g/mol
Exact Mass149.97
IUPAC Namesulfane;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.S
InChIInChI=1S/H2O4S.H2O.H2S/c1-5(2,3)4;;/h(H2,1,2,3,4);2*1H2
InChIKeyIQGSNJBXTVLZAD-UHFFFAOYSA-N
XLogP-1.36
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-1.36
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 sulfane;sulfuric acid;hydrate?
The IUPAC name of sulfane;sulfuric acid;hydrate (CID 172737494) is sulfane;sulfuric acid;hydrate.
What is the SMILES notation for sulfane;sulfuric acid;hydrate?
The canonical SMILES for sulfane;sulfuric acid;hydrate is O.O=S(=O)(O)O.S.
What is the InChIKey of sulfane;sulfuric acid;hydrate?
The InChIKey is IQGSNJBXTVLZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O4S.H2O.H2S/c1-5(2,3)4;;/h(H2,1,2,3,4);2*1H2.
What are the key properties of sulfane;sulfuric acid;hydrate?
sulfane;sulfuric acid;hydrate has a molecular weight of 150.18 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;sulfuric acid;hydrate is sourced from PubChem (CID 172737494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).