titanium cyanide

CNTi- — CID 159591841

IUPACtitanium cyanide
SMILES[C-]#N.[Ti]
InChIInChI=1S/CN.Ti/c1-2;/q-1;
InChIKeyGFOKBXBYINAJJT-UHFFFAOYSA-N
MW73.88 g/mol
LogP0.09
Rot. Bonds

About titanium cyanide

titanium cyanide (PubChem CID 159591841) has the molecular formula CNTi- and a molecular weight of 73.88 g/mol. Its IUPAC name is titanium cyanide.

Molecular Properties

Compound Nametitanium cyanide
PubChem CID159591841
Molecular FormulaCNTi-
Molecular Weight73.88 g/mol
Exact Mass73.95
IUPAC Nametitanium cyanide
SMILES[C-]#N.[Ti]
InChIInChI=1S/CN.Ti/c1-2;/q-1;
InChIKeyGFOKBXBYINAJJT-UHFFFAOYSA-N
XLogP0.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.88
LogP ≤ 50.09
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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Related Compounds

zinc bis((15N)azanylidyne(113C)methane)
CID 71309451
chromium cyanide
CID 172741704
palladium(2+) tetracyanide
CID 12049713
chromium(3+) tricyanide
CID 14818425
cyanide hydrate
CID 71367363
dipotassium;tetracyanide
CID 172816022
iridium tricyanide
CID 148548482
thallium(1+) cyanide
CID 22251319
cadmium(2+) tetracyanide
CID 23278875
sodium cyanide
CID 8929
silane cyanide
CID 161121622
nickel(2+) hexacyanide
CID 51346380

Frequently Asked Questions

What is the IUPAC name of titanium cyanide?
The IUPAC name of titanium cyanide (CID 159591841) is titanium cyanide.
What is the SMILES notation for titanium cyanide?
The canonical SMILES for titanium cyanide is [C-]#N.[Ti].
What is the InChIKey of titanium cyanide?
The InChIKey is GFOKBXBYINAJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/CN.Ti/c1-2;/q-1;.
What are the key properties of titanium cyanide?
titanium cyanide has a molecular weight of 73.88 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for titanium cyanide is sourced from PubChem (CID 159591841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).