dibismuth;tris(ethane-1,2-dithiolate)

C6H12Bi2S6 — CID 15967182

IUPACdibismuth;tris(ethane-1,2-dithiolate)
SMILES[Bi+3].[Bi+3].[S-]CC[S-].[S-]CC[S-].[S-]CC[S-]
InChIInChI=1S/3C2H6S2.2Bi/c3*3-1-2-4;;/h3*3-4H,1-2H2;;/q;;;2*+3/p-6
InChIKeyGUTNLKRPYCTIHX-UHFFFAOYSA-H
MW694.52 g/mol
LogP-0.52
Rot. Bonds3

About dibismuth;tris(ethane-1,2-dithiolate)

dibismuth;tris(ethane-1,2-dithiolate) (PubChem CID 15967182) has the molecular formula C6H12Bi2S6 and a molecular weight of 694.52 g/mol. Its IUPAC name is dibismuth;tris(ethane-1,2-dithiolate).

Molecular Properties

Compound Namedibismuth;tris(ethane-1,2-dithiolate)
PubChem CID15967182
Molecular FormulaC6H12Bi2S6
Molecular Weight694.52 g/mol
Exact Mass693.89
IUPAC Namedibismuth;tris(ethane-1,2-dithiolate)
SMILES[Bi+3].[Bi+3].[S-]CC[S-].[S-]CC[S-].[S-]CC[S-]
InChIInChI=1S/3C2H6S2.2Bi/c3*3-1-2-4;;/h3*3-4H,1-2H2;;/q;;;2*+3/p-6
InChIKeyGUTNLKRPYCTIHX-UHFFFAOYSA-H
XLogP-0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500694.52
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibismuth;tris(ethane-1,2-dithiolate)?
The IUPAC name of dibismuth;tris(ethane-1,2-dithiolate) (CID 15967182) is dibismuth;tris(ethane-1,2-dithiolate).
What is the SMILES notation for dibismuth;tris(ethane-1,2-dithiolate)?
The canonical SMILES for dibismuth;tris(ethane-1,2-dithiolate) is [Bi+3].[Bi+3].[S-]CC[S-].[S-]CC[S-].[S-]CC[S-].
What is the InChIKey of dibismuth;tris(ethane-1,2-dithiolate)?
The InChIKey is GUTNLKRPYCTIHX-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H6S2.2Bi/c3*3-1-2-4;;/h3*3-4H,1-2H2;;/q;;;2*+3/p-6.
What are the key properties of dibismuth;tris(ethane-1,2-dithiolate)?
dibismuth;tris(ethane-1,2-dithiolate) has a molecular weight of 694.52 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibismuth;tris(ethane-1,2-dithiolate) is sourced from PubChem (CID 15967182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).