thallium(1+) cyanide

CNTl — CID 22251319

IUPACthallium(1+) cyanide
SMILES[C-]#N.[Tl+]
InChIInChI=1S/CN.Tl/c1-2;/q-1;+1
InChIKeyVNJJMQRBCYQGFL-UHFFFAOYSA-N
MW230.40 g/mol
LogP-0.28
Rot. Bonds

About thallium(1+) cyanide

thallium(1+) cyanide (PubChem CID 22251319) has the molecular formula CNTl and a molecular weight of 230.40 g/mol. Its IUPAC name is thallium(1+) cyanide.

Molecular Properties

Compound Namethallium(1+) cyanide
PubChem CID22251319
Molecular FormulaCNTl
Molecular Weight230.40 g/mol
Exact Mass230.98
IUPAC Namethallium(1+) cyanide
SMILES[C-]#N.[Tl+]
InChIInChI=1S/CN.Tl/c1-2;/q-1;+1
InChIKeyVNJJMQRBCYQGFL-UHFFFAOYSA-N
XLogP-0.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thallium(1+) cyanide?
The IUPAC name of thallium(1+) cyanide (CID 22251319) is thallium(1+) cyanide.
What is the SMILES notation for thallium(1+) cyanide?
The canonical SMILES for thallium(1+) cyanide is [C-]#N.[Tl+].
What is the InChIKey of thallium(1+) cyanide?
The InChIKey is VNJJMQRBCYQGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.Tl/c1-2;/q-1;+1.
What are the key properties of thallium(1+) cyanide?
thallium(1+) cyanide has a molecular weight of 230.40 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thallium(1+) cyanide is sourced from PubChem (CID 22251319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).