azido(phenyl)methanethiolate;neodymium;tritiophosphane

C7H9N3NdPS- — CID 59611950

IUPACazido(phenyl)methanethiolate;neodymium;tritiophosphane
SMILES[3H]P.[N-]=[N+]=NC([S-])c1ccccc1.[Nd]
InChIInChI=1S/C7H7N3S.Nd.H3P/c8-10-9-7(11)6-4-2-1-3-5-6;;/h1-5,7,11H;;1H3/p-1/i;;1T
InChIKeyUAQDNWUZDFOUPY-ZDNREJLISA-M
MW344.46 g/mol
LogP2.60
Rot. Bonds2

About azido(phenyl)methanethiolate;neodymium;tritiophosphane

azido(phenyl)methanethiolate;neodymium;tritiophosphane (PubChem CID 59611950) has the molecular formula C7H9N3NdPS- and a molecular weight of 344.46 g/mol. Its IUPAC name is azido(phenyl)methanethiolate;neodymium;tritiophosphane.

Molecular Properties

Compound Nameazido(phenyl)methanethiolate;neodymium;tritiophosphane
PubChem CID59611950
Molecular FormulaC7H9N3NdPS-
Molecular Weight344.46 g/mol
Exact Mass341.94
IUPAC Nameazido(phenyl)methanethiolate;neodymium;tritiophosphane
SMILES[3H]P.[N-]=[N+]=NC([S-])c1ccccc1.[Nd]
InChIInChI=1S/C7H7N3S.Nd.H3P/c8-10-9-7(11)6-4-2-1-3-5-6;;/h1-5,7,11H;;1H3/p-1/i;;1T
InChIKeyUAQDNWUZDFOUPY-ZDNREJLISA-M
XLogP2.60
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azido(phenyl)methanethiolate;neodymium;tritiophosphane?
The IUPAC name of azido(phenyl)methanethiolate;neodymium;tritiophosphane (CID 59611950) is azido(phenyl)methanethiolate;neodymium;tritiophosphane.
What is the SMILES notation for azido(phenyl)methanethiolate;neodymium;tritiophosphane?
The canonical SMILES for azido(phenyl)methanethiolate;neodymium;tritiophosphane is [3H]P.[N-]=[N+]=NC([S-])c1ccccc1.[Nd].
What is the InChIKey of azido(phenyl)methanethiolate;neodymium;tritiophosphane?
The InChIKey is UAQDNWUZDFOUPY-ZDNREJLISA-M. The full InChI is InChI=1S/C7H7N3S.Nd.H3P/c8-10-9-7(11)6-4-2-1-3-5-6;;/h1-5,7,11H;;1H3/p-1/i;;1T.
What are the key properties of azido(phenyl)methanethiolate;neodymium;tritiophosphane?
azido(phenyl)methanethiolate;neodymium;tritiophosphane has a molecular weight of 344.46 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azido(phenyl)methanethiolate;neodymium;tritiophosphane is sourced from PubChem (CID 59611950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).