diazenyl-(sulfinatoamino)methane

CH4N3O2S- — CID 57233992

IUPACdiazenyl-(sulfinatoamino)methane
SMILES[H]/N=N/CNS(=O)[O-]
InChIInChI=1S/CH5N3O2S/c2-3-1-4-7(5)6/h2,4H,1H2,(H,5,6)/p-1/b3-2+
InChIKeyHRNNDZDYWLODFP-NSCUHMNNSA-M
MW122.13 g/mol
LogP-0.64
Rot. Bonds3

About diazenyl-(sulfinatoamino)methane

diazenyl-(sulfinatoamino)methane (PubChem CID 57233992) has the molecular formula CH4N3O2S- and a molecular weight of 122.13 g/mol. Its IUPAC name is diazenyl-(sulfinatoamino)methane.

Molecular Properties

Compound Namediazenyl-(sulfinatoamino)methane
PubChem CID57233992
Molecular FormulaCH4N3O2S-
Molecular Weight122.13 g/mol
Exact Mass122.00
IUPAC Namediazenyl-(sulfinatoamino)methane
SMILES[H]/N=N/CNS(=O)[O-]
InChIInChI=1S/CH5N3O2S/c2-3-1-4-7(5)6/h2,4H,1H2,(H,5,6)/p-1/b3-2+
InChIKeyHRNNDZDYWLODFP-NSCUHMNNSA-M
XLogP-0.64
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-0.64
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': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

Diazenyl-(sulfinoamino)methane
CID 57233993

Frequently Asked Questions

What is the IUPAC name of diazenyl-(sulfinatoamino)methane?
The IUPAC name of diazenyl-(sulfinatoamino)methane (CID 57233992) is diazenyl-(sulfinatoamino)methane.
What is the SMILES notation for diazenyl-(sulfinatoamino)methane?
The canonical SMILES for diazenyl-(sulfinatoamino)methane is [H]/N=N/CNS(=O)[O-].
What is the InChIKey of diazenyl-(sulfinatoamino)methane?
The InChIKey is HRNNDZDYWLODFP-NSCUHMNNSA-M. The full InChI is InChI=1S/CH5N3O2S/c2-3-1-4-7(5)6/h2,4H,1H2,(H,5,6)/p-1/b3-2+.
What are the key properties of diazenyl-(sulfinatoamino)methane?
diazenyl-(sulfinatoamino)methane has a molecular weight of 122.13 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazenyl-(sulfinatoamino)methane is sourced from PubChem (CID 57233992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).