methanidylidynetitanium(1+)

CTi — CID 4226345

About methanidylidynetitanium(1+)

methanidylidynetitanium(1+) (PubChem CID 4226345) has the molecular formula CTi and a molecular weight of 59.88 g/mol. Its IUPAC name is methanidylidynetitanium(1+).

Molecular Properties

• Compound Name: methanidylidynetitanium(1+)
• PubChem CID: 4226345
• Molecular Formula: CTi
• Molecular Weight: 59.88 g/mol
• Exact Mass: 59.95
• IUPAC Name: methanidylidynetitanium(1+)
• SMILES: [C-]#[Ti+]
• InChI: InChI=1S/C.Ti/q-1;+1
• InChIKey: YXIVWSJCLXKLJL-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 0.00 Ų
• Heavy Atoms: 2
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	59.88
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanidylidynetitanium(1+)?

The IUPAC name of methanidylidynetitanium(1+) (CID 4226345) is methanidylidynetitanium(1+).

What is the SMILES notation for methanidylidynetitanium(1+)?

The canonical SMILES for methanidylidynetitanium(1+) is [C-]#[Ti+].

What is the InChIKey of methanidylidynetitanium(1+)?

The InChIKey is YXIVWSJCLXKLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C.Ti/q-1;+1.

What are the key properties of methanidylidynetitanium(1+)?

methanidylidynetitanium(1+) has a molecular weight of 59.88 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for methanidylidynetitanium(1+) is sourced from PubChem (CID 4226345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).