azane;sulfooxy hydrogen sulfate;hydrochloride

H9ClN2O8S2 — CID 173178909

IUPACazane;sulfooxy hydrogen sulfate;hydrochloride
SMILESCl.N.N.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/ClH.2H3N.H2O8S2/c;;;1-9(2,3)7-8-10(4,5)6/h1H;2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyBMHLSLHMBKMWIA-UHFFFAOYSA-N
MW264.66 g/mol
LogP-0.71
Rot. Bonds3

About azane;sulfooxy hydrogen sulfate;hydrochloride

azane;sulfooxy hydrogen sulfate;hydrochloride (PubChem CID 173178909) has the molecular formula H9ClN2O8S2 and a molecular weight of 264.66 g/mol. Its IUPAC name is azane;sulfooxy hydrogen sulfate;hydrochloride.

Molecular Properties

Compound Nameazane;sulfooxy hydrogen sulfate;hydrochloride
PubChem CID173178909
Molecular FormulaH9ClN2O8S2
Molecular Weight264.66 g/mol
Exact Mass263.95
IUPAC Nameazane;sulfooxy hydrogen sulfate;hydrochloride
SMILESCl.N.N.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/ClH.2H3N.H2O8S2/c;;;1-9(2,3)7-8-10(4,5)6/h1H;2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyBMHLSLHMBKMWIA-UHFFFAOYSA-N
XLogP-0.71
TPSA197.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sulfooxy hydrogen sulfate
CID 24413
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Frequently Asked Questions

What is the IUPAC name of azane;sulfooxy hydrogen sulfate;hydrochloride?
The IUPAC name of azane;sulfooxy hydrogen sulfate;hydrochloride (CID 173178909) is azane;sulfooxy hydrogen sulfate;hydrochloride.
What is the SMILES notation for azane;sulfooxy hydrogen sulfate;hydrochloride?
The canonical SMILES for azane;sulfooxy hydrogen sulfate;hydrochloride is Cl.N.N.O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of azane;sulfooxy hydrogen sulfate;hydrochloride?
The InChIKey is BMHLSLHMBKMWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.2H3N.H2O8S2/c;;;1-9(2,3)7-8-10(4,5)6/h1H;2*1H3;(H,1,2,3)(H,4,5,6).
What are the key properties of azane;sulfooxy hydrogen sulfate;hydrochloride?
azane;sulfooxy hydrogen sulfate;hydrochloride has a molecular weight of 264.66 g/mol, XLogP of -0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfooxy hydrogen sulfate;hydrochloride is sourced from PubChem (CID 173178909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).