(diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane

H2N2O3S2 — CID 163655637

IUPAC(diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane
SMILES[N-]=[N+]=S=S(=O)(O)O
InChIInChI=1S/H2N2O3S2/c1-2-6-7(3,4)5/h(H2,3,4,5)
InChIKeyIPZDYEUOFIOLGP-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.51
Rot. Bonds

About (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane

(diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane (PubChem CID 163655637) has the molecular formula H2N2O3S2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane.

Molecular Properties

Compound Name(diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane
PubChem CID163655637
Molecular FormulaH2N2O3S2
Molecular Weight142.16 g/mol
Exact Mass141.95
IUPAC Name(diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane
SMILES[N-]=[N+]=S=S(=O)(O)O
InChIInChI=1S/H2N2O3S2/c1-2-6-7(3,4)5/h(H2,3,4,5)
InChIKeyIPZDYEUOFIOLGP-UHFFFAOYSA-N
XLogP-0.51
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane?
The IUPAC name of (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane (CID 163655637) is (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane.
What is the SMILES notation for (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane?
The canonical SMILES for (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane is [N-]=[N+]=S=S(=O)(O)O.
What is the InChIKey of (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane?
The InChIKey is IPZDYEUOFIOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N2O3S2/c1-2-6-7(3,4)5/h(H2,3,4,5).
What are the key properties of (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane?
(diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane has a molecular weight of 142.16 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (diazo-λ4-sulfanylidene)-dihydroxy-oxo-λ6-sulfane is sourced from PubChem (CID 163655637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).