[[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene

H3N3O3S — CID 21353061

IUPAC[[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene
SMILES[H]/N=N/N=S(=O)(O)O
InChIInChI=1S/H3N3O3S/c1-2-3-7(4,5)6/h(H3,1,3,4,5,6)
InChIKeyVGHQLENZNZDMGR-UHFFFAOYSA-N
MW125.11 g/mol
LogP0.35
Rot. Bonds1

About [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene

[[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene (PubChem CID 21353061) has the molecular formula H3N3O3S and a molecular weight of 125.11 g/mol. Its IUPAC name is [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene.

Molecular Properties

Compound Name[[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene
PubChem CID21353061
Molecular FormulaH3N3O3S
Molecular Weight125.11 g/mol
Exact Mass124.99
IUPAC Name[[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene
SMILES[H]/N=N/N=S(=O)(O)O
InChIInChI=1S/H3N3O3S/c1-2-3-7(4,5)6/h(H3,1,3,4,5,6)
InChIKeyVGHQLENZNZDMGR-UHFFFAOYSA-N
XLogP0.35
TPSA106.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.11
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-hydrazinylidenesulfamic acid
CID 18000562
CID 21897199
CID 21897199
Iminosulfamic acid
CID 22119597
Hydrazinylidenesulfamic acid
CID 73415305
(E)-(iminohydrazinylidene)sulfamic acid
CID 140590378
Azidosulfamic acid
CID 148242502
Sulfoazaniumylideneazanide
CID 173010218
(Iminohydrazinylidene)sulfamic acid
CID 173464633
Diiminoazanium;hydrogen sulfite
CID 174618974
CID 175074203
CID 175074203
CID 21482247
CID 21482247
CID 57450072
CID 57450072

Frequently Asked Questions

What is the IUPAC name of [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene?
The IUPAC name of [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene (CID 21353061) is [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene.
What is the SMILES notation for [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene?
The canonical SMILES for [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene is [H]/N=N/N=S(=O)(O)O.
What is the InChIKey of [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene?
The InChIKey is VGHQLENZNZDMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N3O3S/c1-2-3-7(4,5)6/h(H3,1,3,4,5,6).
What are the key properties of [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene?
[[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene has a molecular weight of 125.11 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[dihydroxy(oxo)-λ6-sulfanylidene]amino]diazene is sourced from PubChem (CID 21353061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).