hexasilver;hexakis(pyridine-2-thiolate)

C30H24Ag6N6S6 — CID 139065336

IUPAChexasilver;hexakis(pyridine-2-thiolate)
SMILES[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1
InChIInChI=1S/6C5H5NS.6Ag/c6*7-5-3-1-2-4-6-5;;;;;;/h6*1-4H,(H,6,7);;;;;;/q;;;;;;6*+1/p-6
InChIKeyJITRZWSSTZPPQR-UHFFFAOYSA-H
MW1308.17 g/mol
LogP5.91
Rot. Bonds

About hexasilver;hexakis(pyridine-2-thiolate)

hexasilver;hexakis(pyridine-2-thiolate) (PubChem CID 139065336) has the molecular formula C30H24Ag6N6S6 and a molecular weight of 1308.17 g/mol. Its IUPAC name is hexasilver;hexakis(pyridine-2-thiolate).

Molecular Properties

Compound Namehexasilver;hexakis(pyridine-2-thiolate)
PubChem CID139065336
Molecular FormulaC30H24Ag6N6S6
Molecular Weight1308.17 g/mol
Exact Mass1301.47
IUPAC Namehexasilver;hexakis(pyridine-2-thiolate)
SMILES[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1
InChIInChI=1S/6C5H5NS.6Ag/c6*7-5-3-1-2-4-6-5;;;;;;/h6*1-4H,(H,6,7);;;;;;/q;;;;;;6*+1/p-6
InChIKeyJITRZWSSTZPPQR-UHFFFAOYSA-H
XLogP5.91
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.17
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 hexasilver;hexakis(pyridine-2-thiolate)?
The IUPAC name of hexasilver;hexakis(pyridine-2-thiolate) (CID 139065336) is hexasilver;hexakis(pyridine-2-thiolate).
What is the SMILES notation for hexasilver;hexakis(pyridine-2-thiolate)?
The canonical SMILES for hexasilver;hexakis(pyridine-2-thiolate) is [Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.[S-]c1ccccn1.
What is the InChIKey of hexasilver;hexakis(pyridine-2-thiolate)?
The InChIKey is JITRZWSSTZPPQR-UHFFFAOYSA-H. The full InChI is InChI=1S/6C5H5NS.6Ag/c6*7-5-3-1-2-4-6-5;;;;;;/h6*1-4H,(H,6,7);;;;;;/q;;;;;;6*+1/p-6.
What are the key properties of hexasilver;hexakis(pyridine-2-thiolate)?
hexasilver;hexakis(pyridine-2-thiolate) has a molecular weight of 1308.17 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;hexakis(pyridine-2-thiolate) is sourced from PubChem (CID 139065336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).