CID 10345445

H2B24Na4S2+2 — CID 10345445

About CID 10345445

CID 10345445 (PubChem CID 10345445) has the molecular formula H2B24Na4S2+2 and a molecular weight of 417.60 g/mol.

Molecular Properties

• Compound Name: CID 10345445
• PubChem CID: 10345445
• Molecular Formula: H2B24Na4S2+2
• Molecular Weight: 417.60 g/mol
• Exact Mass: 422.14
• IUPAC Name: —
• SMILES: [B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[Na+].[Na+].[Na+].[Na+].[SH-].[SH-]
• InChI: InChI=1S/24B.4Na.2H2S/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*1H2/q;;;;;;;;;;;;;;;;;;;;;;;;4*+1;;/p-2
• InChIKey: XOJXYRDHHGQJEA-UHFFFAOYSA-L
• XLogP: -21.66
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.60
LogP ≤ 5	-21.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 10345445?

The IUPAC name of CID 10345445 (CID 10345445) is not available.

What is the SMILES notation for CID 10345445?

The canonical SMILES for CID 10345445 is [B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[B].[Na+].[Na+].[Na+].[Na+].[SH-].[SH-].

What is the InChIKey of CID 10345445?

The InChIKey is XOJXYRDHHGQJEA-UHFFFAOYSA-L. The full InChI is InChI=1S/24B.4Na.2H2S/h;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*1H2/q;;;;;;;;;;;;;;;;;;;;;;;;4*+1;;/p-2.

What are the key properties of CID 10345445?

CID 10345445 has a molecular weight of 417.60 g/mol, XLogP of -21.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 10345445 is sourced from PubChem (CID 10345445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).