azulene;sulfuric acid

C10H10O4S — CID 172847947

IUPACazulene;sulfuric acid
SMILESO=S(=O)(O)O.c1ccc2cccc-2cc1
InChIInChI=1S/C10H8.H2O4S/c1-2-5-9-7-4-8-10(9)6-3-1;1-5(2,3)4/h1-8H;(H2,1,2,3,4)
InChIKeyXRKMEHIVFURACU-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.14
Rot. Bonds

About azulene;sulfuric acid

azulene;sulfuric acid (PubChem CID 172847947) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is azulene;sulfuric acid.

Molecular Properties

Compound Nameazulene;sulfuric acid
PubChem CID172847947
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Nameazulene;sulfuric acid
SMILESO=S(=O)(O)O.c1ccc2cccc-2cc1
InChIInChI=1S/C10H8.H2O4S/c1-2-5-9-7-4-8-10(9)6-3-1;1-5(2,3)4/h1-8H;(H2,1,2,3,4)
InChIKeyXRKMEHIVFURACU-UHFFFAOYSA-N
XLogP2.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.14
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 azulene;sulfuric acid?
The IUPAC name of azulene;sulfuric acid (CID 172847947) is azulene;sulfuric acid.
What is the SMILES notation for azulene;sulfuric acid?
The canonical SMILES for azulene;sulfuric acid is O=S(=O)(O)O.c1ccc2cccc-2cc1.
What is the InChIKey of azulene;sulfuric acid?
The InChIKey is XRKMEHIVFURACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.H2O4S/c1-2-5-9-7-4-8-10(9)6-3-1;1-5(2,3)4/h1-8H;(H2,1,2,3,4).
What are the key properties of azulene;sulfuric acid?
azulene;sulfuric acid has a molecular weight of 226.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azulene;sulfuric acid is sourced from PubChem (CID 172847947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).