chlorotitanium(3+);methanidylbenzene

C21H21ClTi — CID 14493771

IUPACchlorotitanium(3+);methanidylbenzene
SMILESCl[Ti+3].[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1
InChIInChI=1S/3C7H7.ClH.Ti/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q3*-1;;+4/p-1
InChIKeyHDKKMSHXDXYFQZ-UHFFFAOYSA-M
MW356.72 g/mol
LogP6.29
Rot. Bonds

About chlorotitanium(3+);methanidylbenzene

chlorotitanium(3+);methanidylbenzene (PubChem CID 14493771) has the molecular formula C21H21ClTi and a molecular weight of 356.72 g/mol. Its IUPAC name is chlorotitanium(3+);methanidylbenzene.

Molecular Properties

Compound Namechlorotitanium(3+);methanidylbenzene
PubChem CID14493771
Molecular FormulaC21H21ClTi
Molecular Weight356.72 g/mol
Exact Mass356.08
IUPAC Namechlorotitanium(3+);methanidylbenzene
SMILESCl[Ti+3].[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1
InChIInChI=1S/3C7H7.ClH.Ti/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q3*-1;;+4/p-1
InChIKeyHDKKMSHXDXYFQZ-UHFFFAOYSA-M
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.72
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 57471618
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CID 175590637
iron;methanidylbenzene;hydrate
CID 174771538
carbanide;methanidylbenzene;molybdenum(2+)
CID 150166404
CID 172832210
CID 172832210
dichlorozinc;methanidylbenzene;hydrochloride
CID 135382974
dichlorozinc;methanidylbenzene;hydrobromide
CID 90272356
bromozinc(1+);methanidylbenzene
CID 6101044
magnesium;zinc;methanidylbenzene;trichloride
CID 174749410
magnesium;azane;methanidylbenzene;chloride
CID 172690401

Frequently Asked Questions

What is the IUPAC name of chlorotitanium(3+);methanidylbenzene?
The IUPAC name of chlorotitanium(3+);methanidylbenzene (CID 14493771) is chlorotitanium(3+);methanidylbenzene.
What is the SMILES notation for chlorotitanium(3+);methanidylbenzene?
The canonical SMILES for chlorotitanium(3+);methanidylbenzene is Cl[Ti+3].[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.
What is the InChIKey of chlorotitanium(3+);methanidylbenzene?
The InChIKey is HDKKMSHXDXYFQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/3C7H7.ClH.Ti/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q3*-1;;+4/p-1.
What are the key properties of chlorotitanium(3+);methanidylbenzene?
chlorotitanium(3+);methanidylbenzene has a molecular weight of 356.72 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(3+);methanidylbenzene is sourced from PubChem (CID 14493771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).