tripotassium;trithiocyanate

C3K3N3S3 — CID 155294636

IUPACtripotassium;trithiocyanate
SMILESN#C[S-].N#C[S-].N#C[S-].[K+].[K+].[K+]
InChIInChI=1S/3CHNS.3K/c3*2-1-3;;;/h3*3H;;;/q;;;3*+1/p-3
InChIKeyNVKYYULGWCQGFE-UHFFFAOYSA-K
MW291.55 g/mol
LogP-8.94
Rot. Bonds

About tripotassium;trithiocyanate

tripotassium;trithiocyanate (PubChem CID 155294636) has the molecular formula C3K3N3S3 and a molecular weight of 291.55 g/mol. Its IUPAC name is tripotassium;trithiocyanate.

Molecular Properties

Compound Nametripotassium;trithiocyanate
PubChem CID155294636
Molecular FormulaC3K3N3S3
Molecular Weight291.55 g/mol
Exact Mass290.82
IUPAC Nametripotassium;trithiocyanate
SMILESN#C[S-].N#C[S-].N#C[S-].[K+].[K+].[K+]
InChIInChI=1S/3CHNS.3K/c3*2-1-3;;;/h3*3H;;;/q;;;3*+1/p-3
InChIKeyNVKYYULGWCQGFE-UHFFFAOYSA-K
XLogP-8.94
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.55
LogP ≤ 5-8.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 tripotassium;trithiocyanate?
The IUPAC name of tripotassium;trithiocyanate (CID 155294636) is tripotassium;trithiocyanate.
What is the SMILES notation for tripotassium;trithiocyanate?
The canonical SMILES for tripotassium;trithiocyanate is N#C[S-].N#C[S-].N#C[S-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;trithiocyanate?
The InChIKey is NVKYYULGWCQGFE-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHNS.3K/c3*2-1-3;;;/h3*3H;;;/q;;;3*+1/p-3.
What are the key properties of tripotassium;trithiocyanate?
tripotassium;trithiocyanate has a molecular weight of 291.55 g/mol, XLogP of -8.94, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;trithiocyanate is sourced from PubChem (CID 155294636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).