Phosphoramidazidothioic O-acid

H3N4OPS — CID 71446969

IUPAC—
SMILES[N-]=[N+]=NP(N)(O)=S
InChIInChI=1S/H3N4OPS/c1-3-4-6(2,5)7/h(H3,2,5,7)
InChIKeyFIOFQVCUWVSCGE-UHFFFAOYSA-N
MW138.09 g/mol
LogP0.47
Rot. Bonds1

About Phosphoramidazidothioic O-acid

Phosphoramidazidothioic O-acid (PubChem CID 71446969) has the molecular formula H3N4OPS and a molecular weight of 138.09 g/mol.

Molecular Properties

Compound NamePhosphoramidazidothioic O-acid
PubChem CID71446969
Molecular FormulaH3N4OPS
Molecular Weight138.09 g/mol
Exact Mass137.98
IUPAC Name—
SMILES[N-]=[N+]=NP(N)(O)=S
InChIInChI=1S/H3N4OPS/c1-3-4-6(2,5)7/h(H3,2,5,7)
InChIKeyFIOFQVCUWVSCGE-UHFFFAOYSA-N
XLogP0.47
TPSA95.01 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze Phosphoramidazidothioic O-acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Phosphoramidazidothioic O-acid?
The IUPAC name of Phosphoramidazidothioic O-acid (CID 71446969) is not available.
What is the SMILES notation for Phosphoramidazidothioic O-acid?
The canonical SMILES for Phosphoramidazidothioic O-acid is [N-]=[N+]=NP(N)(O)=S.
What is the InChIKey of Phosphoramidazidothioic O-acid?
The InChIKey is FIOFQVCUWVSCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N4OPS/c1-3-4-6(2,5)7/h(H3,2,5,7).
What are the key properties of Phosphoramidazidothioic O-acid?
Phosphoramidazidothioic O-acid has a molecular weight of 138.09 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphoramidazidothioic O-acid is sourced from PubChem (CID 71446969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).