sulfooxy hydrogen sulfate;hydrobromide

H3BrO8S2 — CID 172791848

IUPACsulfooxy hydrogen sulfate;hydrobromide
SMILESBr.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/BrH.H2O8S2/c;1-9(2,3)7-8-10(4,5)6/h1H;(H,1,2,3)(H,4,5,6)
InChIKeyPRDSMIBWUAJLQL-UHFFFAOYSA-N
MW275.05 g/mol
LogP-0.88
Rot. Bonds3

About sulfooxy hydrogen sulfate;hydrobromide

sulfooxy hydrogen sulfate;hydrobromide (PubChem CID 172791848) has the molecular formula H3BrO8S2 and a molecular weight of 275.05 g/mol. Its IUPAC name is sulfooxy hydrogen sulfate;hydrobromide.

Molecular Properties

Compound Namesulfooxy hydrogen sulfate;hydrobromide
PubChem CID172791848
Molecular FormulaH3BrO8S2
Molecular Weight275.05 g/mol
Exact Mass273.85
IUPAC Namesulfooxy hydrogen sulfate;hydrobromide
SMILESBr.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/BrH.H2O8S2/c;1-9(2,3)7-8-10(4,5)6/h1H;(H,1,2,3)(H,4,5,6)
InChIKeyPRDSMIBWUAJLQL-UHFFFAOYSA-N
XLogP-0.88
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
CID 173280994
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
azane;sulfooxy hydrogen sulfate;thiourea
CID 175196576
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614
acetonitrile;azane;sulfooxy hydrogen sulfate
CID 174690756
azane;2-sulfanylacetic acid;sulfooxy hydrogen sulfate
CID 174592442
prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 174946242

Frequently Asked Questions

What is the IUPAC name of sulfooxy hydrogen sulfate;hydrobromide?
The IUPAC name of sulfooxy hydrogen sulfate;hydrobromide (CID 172791848) is sulfooxy hydrogen sulfate;hydrobromide.
What is the SMILES notation for sulfooxy hydrogen sulfate;hydrobromide?
The canonical SMILES for sulfooxy hydrogen sulfate;hydrobromide is Br.O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of sulfooxy hydrogen sulfate;hydrobromide?
The InChIKey is PRDSMIBWUAJLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/BrH.H2O8S2/c;1-9(2,3)7-8-10(4,5)6/h1H;(H,1,2,3)(H,4,5,6).
What are the key properties of sulfooxy hydrogen sulfate;hydrobromide?
sulfooxy hydrogen sulfate;hydrobromide has a molecular weight of 275.05 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfooxy hydrogen sulfate;hydrobromide is sourced from PubChem (CID 172791848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).