thorium(4+) octathiocyanate

C8N8S8Th-4 — CID 50921381

IUPACthorium(4+) octathiocyanate
SMILESN#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].[Th+4]
InChIInChI=1S/8CHNS.Th/c8*2-1-3;/h8*3H;/q;;;;;;;;+4/p-8
InChIKeyMWTBIGHZYUPHRF-UHFFFAOYSA-F
MW696.72 g/mol
LogP0.12
Rot. Bonds

About thorium(4+) octathiocyanate

thorium(4+) octathiocyanate (PubChem CID 50921381) has the molecular formula C8N8S8Th-4 and a molecular weight of 696.72 g/mol. Its IUPAC name is thorium(4+) octathiocyanate.

Molecular Properties

Compound Namethorium(4+) octathiocyanate
PubChem CID50921381
Molecular FormulaC8N8S8Th-4
Molecular Weight696.72 g/mol
Exact Mass695.84
IUPAC Namethorium(4+) octathiocyanate
SMILESN#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].[Th+4]
InChIInChI=1S/8CHNS.Th/c8*2-1-3;/h8*3H;/q;;;;;;;;+4/p-8
InChIKeyMWTBIGHZYUPHRF-UHFFFAOYSA-F
XLogP0.12
TPSA190.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.72
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thorium(4+) octathiocyanate?
The IUPAC name of thorium(4+) octathiocyanate (CID 50921381) is thorium(4+) octathiocyanate.
What is the SMILES notation for thorium(4+) octathiocyanate?
The canonical SMILES for thorium(4+) octathiocyanate is N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].N#C[S-].[Th+4].
What is the InChIKey of thorium(4+) octathiocyanate?
The InChIKey is MWTBIGHZYUPHRF-UHFFFAOYSA-F. The full InChI is InChI=1S/8CHNS.Th/c8*2-1-3;/h8*3H;/q;;;;;;;;+4/p-8.
What are the key properties of thorium(4+) octathiocyanate?
thorium(4+) octathiocyanate has a molecular weight of 696.72 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for thorium(4+) octathiocyanate is sourced from PubChem (CID 50921381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).