chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate

C19H14ClCuNS — CID 58635686

IUPACchlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate
SMILESCl[Cu+].[S-]c1c(/C=N/c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H15NS.ClH.Cu/c21-19-16(14-20-17-11-5-2-6-12-17)10-7-13-18(19)15-8-3-1-4-9-15;;/h1-14,21H;1H;/q;;+2/p-2/b20-14+;;
InChIKeyZEYWHSDWUKJLLY-WNQUAZRHSA-L
MW387.39 g/mol
LogP5.70
Rot. Bonds3

About chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate

chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate (PubChem CID 58635686) has the molecular formula C19H14ClCuNS and a molecular weight of 387.39 g/mol. Its IUPAC name is chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate.

Molecular Properties

Compound Namechlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate
PubChem CID58635686
Molecular FormulaC19H14ClCuNS
Molecular Weight387.39 g/mol
Exact Mass385.98
IUPAC Namechlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate
SMILESCl[Cu+].[S-]c1c(/C=N/c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C19H15NS.ClH.Cu/c21-19-16(14-20-17-11-5-2-6-12-17)10-7-13-18(19)15-8-3-1-4-9-15;;/h1-14,21H;1H;/q;;+2/p-2/b20-14+;;
InChIKeyZEYWHSDWUKJLLY-WNQUAZRHSA-L
XLogP5.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate?
The IUPAC name of chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate (CID 58635686) is chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate.
What is the SMILES notation for chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate?
The canonical SMILES for chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate is Cl[Cu+].[S-]c1c(/C=N/c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate?
The InChIKey is ZEYWHSDWUKJLLY-WNQUAZRHSA-L. The full InChI is InChI=1S/C19H15NS.ClH.Cu/c21-19-16(14-20-17-11-5-2-6-12-17)10-7-13-18(19)15-8-3-1-4-9-15;;/h1-14,21H;1H;/q;;+2/p-2/b20-14+;;.
What are the key properties of chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate?
chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate has a molecular weight of 387.39 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper(1+);2-phenyl-6-(phenyliminomethyl)benzenethiolate is sourced from PubChem (CID 58635686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).