CID 140706489

H3N7O2S2 — CID 140706489

About CID 140706489

CID 140706489 (PubChem CID 140706489) has the molecular formula H3N7O2S2 and a molecular weight of 197.21 g/mol.

Molecular Properties

• Compound Name: CID 140706489
• PubChem CID: 140706489
• Molecular Formula: H3N7O2S2
• Molecular Weight: 197.21 g/mol
• Exact Mass: 196.98
• IUPAC Name: —
• SMILES: [H]/N=N/N=N/N=N/N(OS)OS
• InChI: InChI=1S/H3N7O2S2/c1-2-3-4-5-6-7(8-10)9-11/h1,10-11H/b2-1+,4-3+,6-5+
• InChIKey: GRFHHGGOQZLEDR-OGRRCNLLSA-N
• XLogP: 1.52
• TPSA: 107.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.21
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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 CID 140706489?

The IUPAC name of CID 140706489 (CID 140706489) is not available.

What is the SMILES notation for CID 140706489?

The canonical SMILES for CID 140706489 is [H]/N=N/N=N/N=N/N(OS)OS.

What is the InChIKey of CID 140706489?

The InChIKey is GRFHHGGOQZLEDR-OGRRCNLLSA-N. The full InChI is InChI=1S/H3N7O2S2/c1-2-3-4-5-6-7(8-10)9-11/h1,10-11H/b2-1+,4-3+,6-5+.

What are the key properties of CID 140706489?

CID 140706489 has a molecular weight of 197.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 140706489 is sourced from PubChem (CID 140706489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).