imino(disulfo)azanium

H3N2O6S2+ — CID 175225442

IUPACimino(disulfo)azanium
SMILES[H]N=[N+](S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/H2N2O6S2/c1-2(9(3,4)5)10(6,7)8/h1H,(H-,3,4,5,6,7,8)/p+1
InChIKeyCWIKWTANXXWEBR-UHFFFAOYSA-O
MW191.17 g/mol
LogP-1.36
Rot. Bonds2

About imino(disulfo)azanium

imino(disulfo)azanium (PubChem CID 175225442) has the molecular formula H3N2O6S2+ and a molecular weight of 191.17 g/mol. Its IUPAC name is imino(disulfo)azanium.

Molecular Properties

Compound Nameimino(disulfo)azanium
PubChem CID175225442
Molecular FormulaH3N2O6S2+
Molecular Weight191.17 g/mol
Exact Mass190.94
IUPAC Nameimino(disulfo)azanium
SMILES[H]N=[N+](S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/H2N2O6S2/c1-2(9(3,4)5)10(6,7)8/h1H,(H-,3,4,5,6,7,8)/p+1
InChIKeyCWIKWTANXXWEBR-UHFFFAOYSA-O
XLogP-1.36
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imino(disulfo)azanium?
The IUPAC name of imino(disulfo)azanium (CID 175225442) is imino(disulfo)azanium.
What is the SMILES notation for imino(disulfo)azanium?
The canonical SMILES for imino(disulfo)azanium is [H]N=[N+](S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of imino(disulfo)azanium?
The InChIKey is CWIKWTANXXWEBR-UHFFFAOYSA-O. The full InChI is InChI=1S/H2N2O6S2/c1-2(9(3,4)5)10(6,7)8/h1H,(H-,3,4,5,6,7,8)/p+1.
What are the key properties of imino(disulfo)azanium?
imino(disulfo)azanium has a molecular weight of 191.17 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino(disulfo)azanium is sourced from PubChem (CID 175225442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).