carbanide;N-methylaniline;thorium(2+)

C8H11NTh — CID 59944162

IUPACcarbanide;N-methylaniline;thorium(2+)
SMILESCNc1cc[c-]cc1.[CH3-].[Th+2]
InChIInChI=1S/C7H8N.CH3.Th/c1-8-7-5-3-2-4-6-7;;/h3-6,8H,1H3;1H3;/q2*-1;+2
InChIKeyAHSMVOMHCXJIIA-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.98
Rot. Bonds1

About carbanide;N-methylaniline;thorium(2+)

carbanide;N-methylaniline;thorium(2+) (PubChem CID 59944162) has the molecular formula C8H11NTh and a molecular weight of 353.22 g/mol. Its IUPAC name is carbanide;N-methylaniline;thorium(2+).

Molecular Properties

Compound Namecarbanide;N-methylaniline;thorium(2+)
PubChem CID59944162
Molecular FormulaC8H11NTh
Molecular Weight353.22 g/mol
Exact Mass353.13
IUPAC Namecarbanide;N-methylaniline;thorium(2+)
SMILESCNc1cc[c-]cc1.[CH3-].[Th+2]
InChIInChI=1S/C7H8N.CH3.Th/c1-8-7-5-3-2-4-6-7;;/h3-6,8H,1H3;1H3;/q2*-1;+2
InChIKeyAHSMVOMHCXJIIA-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 carbanide;N-methylaniline;thorium(2+)?
The IUPAC name of carbanide;N-methylaniline;thorium(2+) (CID 59944162) is carbanide;N-methylaniline;thorium(2+).
What is the SMILES notation for carbanide;N-methylaniline;thorium(2+)?
The canonical SMILES for carbanide;N-methylaniline;thorium(2+) is CNc1cc[c-]cc1.[CH3-].[Th+2].
What is the InChIKey of carbanide;N-methylaniline;thorium(2+)?
The InChIKey is AHSMVOMHCXJIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.CH3.Th/c1-8-7-5-3-2-4-6-7;;/h3-6,8H,1H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;N-methylaniline;thorium(2+)?
carbanide;N-methylaniline;thorium(2+) has a molecular weight of 353.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-methylaniline;thorium(2+) is sourced from PubChem (CID 59944162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).