azidosilyl hydrogen sulfate

H3N3O4SSi — CID 154422647

IUPACazidosilyl hydrogen sulfate
SMILES[N-]=[N+]=N[SiH2]OS(=O)(=O)O
InChIInChI=1S/H3N3O4SSi/c1-2-3-9-7-8(4,5)6/h9H2,(H,4,5,6)
InChIKeyJKIYNNFFYOHSHY-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.89
Rot. Bonds3

About azidosilyl hydrogen sulfate

azidosilyl hydrogen sulfate (PubChem CID 154422647) has the molecular formula H3N3O4SSi and a molecular weight of 169.19 g/mol. Its IUPAC name is azidosilyl hydrogen sulfate.

Molecular Properties

Compound Nameazidosilyl hydrogen sulfate
PubChem CID154422647
Molecular FormulaH3N3O4SSi
Molecular Weight169.19 g/mol
Exact Mass168.96
IUPAC Nameazidosilyl hydrogen sulfate
SMILES[N-]=[N+]=N[SiH2]OS(=O)(=O)O
InChIInChI=1S/H3N3O4SSi/c1-2-3-9-7-8(4,5)6/h9H2,(H,4,5,6)
InChIKeyJKIYNNFFYOHSHY-UHFFFAOYSA-N
XLogP-0.89
TPSA112.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

azidosilylmethanol
CID 151131285
sulfuryl diazide
CID 15191028
azidoethane;methanesulfonic acid
CID 123670862
dihydroxyphosphinothioyl hydrogen sulfate
CID 174609403
(4-azido-1-bromobutan-2-yl) hydrogen sulfate
CID 101160628
sulfooxy hydrogen sulfate
CID 24413
[(1R,2R)-3-azido-2-bromo-1-phenylpropyl] hydrogen sulfate
CID 101160638
imino(sulfooxyimino)azanium
CID 173131438
CID 173332753
CID 173332753
silane;sulfo hydrogen sulfate
CID 173332743
1-azido-2-(2-azidophenyl)sulfonylbenzene
CID 86105222
azidoethane;4-methylbenzenesulfonic acid
CID 175041595

Frequently Asked Questions

What is the IUPAC name of azidosilyl hydrogen sulfate?
The IUPAC name of azidosilyl hydrogen sulfate (CID 154422647) is azidosilyl hydrogen sulfate.
What is the SMILES notation for azidosilyl hydrogen sulfate?
The canonical SMILES for azidosilyl hydrogen sulfate is [N-]=[N+]=N[SiH2]OS(=O)(=O)O.
What is the InChIKey of azidosilyl hydrogen sulfate?
The InChIKey is JKIYNNFFYOHSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N3O4SSi/c1-2-3-9-7-8(4,5)6/h9H2,(H,4,5,6).
What are the key properties of azidosilyl hydrogen sulfate?
azidosilyl hydrogen sulfate has a molecular weight of 169.19 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azidosilyl hydrogen sulfate is sourced from PubChem (CID 154422647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).