triazanium;sulfuric acid;chloride;sulfate

H14ClN3O8S2 — CID 157159319

IUPACtriazanium;sulfuric acid;chloride;sulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].[Cl-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/ClH.3H3N.2H2O4S/c;;;;2*1-5(2,3)4/h1H;3*1H3;2*(H2,1,2,3,4)
InChIKeyAMEKWGDVWUGGEP-UHFFFAOYSA-N
MW283.71 g/mol
LogP-3.86
Rot. Bonds

About triazanium;sulfuric acid;chloride;sulfate

triazanium;sulfuric acid;chloride;sulfate (PubChem CID 157159319) has the molecular formula H14ClN3O8S2 and a molecular weight of 283.71 g/mol. Its IUPAC name is triazanium;sulfuric acid;chloride;sulfate.

Molecular Properties

Compound Nametriazanium;sulfuric acid;chloride;sulfate
PubChem CID157159319
Molecular FormulaH14ClN3O8S2
Molecular Weight283.71 g/mol
Exact Mass282.99
IUPAC Nametriazanium;sulfuric acid;chloride;sulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].[Cl-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/ClH.3H3N.2H2O4S/c;;;;2*1-5(2,3)4/h1H;3*1H3;2*(H2,1,2,3,4)
InChIKeyAMEKWGDVWUGGEP-UHFFFAOYSA-N
XLogP-3.86
TPSA264.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 5-3.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triazanium;sulfuric acid;chloride;sulfate?
The IUPAC name of triazanium;sulfuric acid;chloride;sulfate (CID 157159319) is triazanium;sulfuric acid;chloride;sulfate.
What is the SMILES notation for triazanium;sulfuric acid;chloride;sulfate?
The canonical SMILES for triazanium;sulfuric acid;chloride;sulfate is O=S(=O)(O)O.O=S(=O)([O-])[O-].[Cl-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;sulfuric acid;chloride;sulfate?
The InChIKey is AMEKWGDVWUGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.3H3N.2H2O4S/c;;;;2*1-5(2,3)4/h1H;3*1H3;2*(H2,1,2,3,4).
What are the key properties of triazanium;sulfuric acid;chloride;sulfate?
triazanium;sulfuric acid;chloride;sulfate has a molecular weight of 283.71 g/mol, XLogP of -3.86, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;sulfuric acid;chloride;sulfate is sourced from PubChem (CID 157159319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).