(E)-sulfoiminosulfamic acid

H2N2O6S2 — CID 18431952

IUPAC(E)-sulfoiminosulfamic acid
SMILESO=S(=O)(O)/N=N/S(=O)(=O)O
InChIInChI=1S/H2N2O6S2/c3-9(4,5)1-2-10(6,7)8/h(H,3,4,5)(H,6,7,8)/b2-1+
InChIKeyIGCFCYDLEVVDAJ-OWOJBTEDSA-N
MW190.16 g/mol
LogP-0.96
Rot. Bonds2

About (E)-sulfoiminosulfamic acid

(E)-sulfoiminosulfamic acid (PubChem CID 18431952) has the molecular formula H2N2O6S2 and a molecular weight of 190.16 g/mol. Its IUPAC name is (E)-sulfoiminosulfamic acid.

Molecular Properties

Compound Name(E)-sulfoiminosulfamic acid
PubChem CID18431952
Molecular FormulaH2N2O6S2
Molecular Weight190.16 g/mol
Exact Mass189.94
IUPAC Name(E)-sulfoiminosulfamic acid
SMILESO=S(=O)(O)/N=N/S(=O)(=O)O
InChIInChI=1S/H2N2O6S2/c3-9(4,5)1-2-10(6,7)8/h(H,3,4,5)(H,6,7,8)/b2-1+
InChIKeyIGCFCYDLEVVDAJ-OWOJBTEDSA-N
XLogP-0.96
TPSA133.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-sulfoiminosulfamic acid?
The IUPAC name of (E)-sulfoiminosulfamic acid (CID 18431952) is (E)-sulfoiminosulfamic acid.
What is the SMILES notation for (E)-sulfoiminosulfamic acid?
The canonical SMILES for (E)-sulfoiminosulfamic acid is O=S(=O)(O)/N=N/S(=O)(=O)O.
What is the InChIKey of (E)-sulfoiminosulfamic acid?
The InChIKey is IGCFCYDLEVVDAJ-OWOJBTEDSA-N. The full InChI is InChI=1S/H2N2O6S2/c3-9(4,5)1-2-10(6,7)8/h(H,3,4,5)(H,6,7,8)/b2-1+.
What are the key properties of (E)-sulfoiminosulfamic acid?
(E)-sulfoiminosulfamic acid has a molecular weight of 190.16 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-sulfoiminosulfamic acid is sourced from PubChem (CID 18431952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).