aminosulfanyl hydrogen sulfate

H3NO4S2 — CID 19002542

IUPACaminosulfanyl hydrogen sulfate
SMILESNSOS(=O)(=O)O
InChIInChI=1S/H3NO4S2/c1-6-5-7(2,3)4/h1H2,(H,2,3,4)
InChIKeyIJQDXWNHUCEMBA-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.67
Rot. Bonds2

About aminosulfanyl hydrogen sulfate

aminosulfanyl hydrogen sulfate (PubChem CID 19002542) has the molecular formula H3NO4S2 and a molecular weight of 145.16 g/mol. Its IUPAC name is aminosulfanyl hydrogen sulfate.

Molecular Properties

Compound Nameaminosulfanyl hydrogen sulfate
PubChem CID19002542
Molecular FormulaH3NO4S2
Molecular Weight145.16 g/mol
Exact Mass144.95
IUPAC Nameaminosulfanyl hydrogen sulfate
SMILESNSOS(=O)(=O)O
InChIInChI=1S/H3NO4S2/c1-6-5-7(2,3)4/h1H2,(H,2,3,4)
InChIKeyIJQDXWNHUCEMBA-UHFFFAOYSA-N
XLogP-0.67
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aminosulfanyl hydrogen sulfate?
The IUPAC name of aminosulfanyl hydrogen sulfate (CID 19002542) is aminosulfanyl hydrogen sulfate.
What is the SMILES notation for aminosulfanyl hydrogen sulfate?
The canonical SMILES for aminosulfanyl hydrogen sulfate is NSOS(=O)(=O)O.
What is the InChIKey of aminosulfanyl hydrogen sulfate?
The InChIKey is IJQDXWNHUCEMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO4S2/c1-6-5-7(2,3)4/h1H2,(H,2,3,4).
What are the key properties of aminosulfanyl hydrogen sulfate?
aminosulfanyl hydrogen sulfate has a molecular weight of 145.16 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminosulfanyl hydrogen sulfate is sourced from PubChem (CID 19002542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).