sulfanyloxydiazene

H2N2OS — CID 140600431

About sulfanyloxydiazene

sulfanyloxydiazene (PubChem CID 140600431) has the molecular formula H2N2OS and a molecular weight of 78.10 g/mol. Its IUPAC name is sulfanyloxydiazene.

Molecular Properties

• Compound Name: sulfanyloxydiazene
• PubChem CID: 140600431
• Molecular Formula: H2N2OS
• Molecular Weight: 78.10 g/mol
• Exact Mass: 77.99
• IUPAC Name: sulfanyloxydiazene
• SMILES: [H]/N=N/OS
• InChI: InChI=1S/H2N2OS/c1-2-3-4/h1,4H/b2-1+
• InChIKey: KDDJLGBKZREKFT-OWOJBTEDSA-N
• XLogP: 0.79
• TPSA: 45.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	78.10
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sulfanyloxydiazene?

The IUPAC name of sulfanyloxydiazene (CID 140600431) is sulfanyloxydiazene.

What is the SMILES notation for sulfanyloxydiazene?

The canonical SMILES for sulfanyloxydiazene is [H]/N=N/OS.

What is the InChIKey of sulfanyloxydiazene?

The InChIKey is KDDJLGBKZREKFT-OWOJBTEDSA-N. The full InChI is InChI=1S/H2N2OS/c1-2-3-4/h1,4H/b2-1+.

What are the key properties of sulfanyloxydiazene?

sulfanyloxydiazene has a molecular weight of 78.10 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for sulfanyloxydiazene is sourced from PubChem (CID 140600431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).