zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate

C24H22N6S2Zn — CID 56956464

IUPACzinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate
SMILESCN(C)/C([S-])=N/N=C(C(=N/N/C([S-])=N/c1ccccc1)/c1ccccc1)\c1ccccc1.[Zn+2]
InChIInChI=1S/C24H24N6S2.Zn/c1-30(2)24(32)29-27-22(19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)26-28-23(31)25-20-16-10-5-11-17-20;/h3-17H,1-2H3,(H,29,32)(H2,25,28,31);/q;+2/p-2/b26-21+,27-22+;
InChIKeyWBFLFDLCTGVMOP-OZPLOXNPSA-L
MW524.01 g/mol
LogP4.08
Rot. Bonds6

About zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate

zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate (PubChem CID 56956464) has the molecular formula C24H22N6S2Zn and a molecular weight of 524.01 g/mol. Its IUPAC name is zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate.

Molecular Properties

Compound Namezinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate
PubChem CID56956464
Molecular FormulaC24H22N6S2Zn
Molecular Weight524.01 g/mol
Exact Mass522.06
IUPAC Namezinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate
SMILESCN(C)/C([S-])=N/N=C(C(=N/N/C([S-])=N/c1ccccc1)/c1ccccc1)\c1ccccc1.[Zn+2]
InChIInChI=1S/C24H24N6S2.Zn/c1-30(2)24(32)29-27-22(19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)26-28-23(31)25-20-16-10-5-11-17-20;/h3-17H,1-2H3,(H,29,32)(H2,25,28,31);/q;+2/p-2/b26-21+,27-22+;
InChIKeyWBFLFDLCTGVMOP-OZPLOXNPSA-L
XLogP4.08
TPSA64.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.01
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-phenyl-2-phenyliminoacetamide
CID 11736863
zinc bis(N-(dipyridin-2-ylmethylideneamino)-N'-phenylcarbamimidothioate)
CID 25193925
copper N'-[[1-(4-hydroxyphenyl)-2-[[methylamino(sulfido)methylidene]hydrazinylidene]-2-phenylethylidene]amino]-N-methylcarbamimidothioate
CID 162159955
copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-phenyl-2-(4-sulfanylphenyl)ethylidene]amino]-N,N-diethylcarbamimidothioate
CID 158842399
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
CID 10043892
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
CID 6309358
copper N'-[(E)-[(2E)-1-(4-acetylphenyl)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
CID 142539522
copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
CID 159717011
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 14933591
copper N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
CID 142539327

Frequently Asked Questions

What is the IUPAC name of zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate?
The IUPAC name of zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate (CID 56956464) is zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate.
What is the SMILES notation for zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate?
The canonical SMILES for zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate is CN(C)/C([S-])=N/N=C(C(=N/N/C([S-])=N/c1ccccc1)/c1ccccc1)\c1ccccc1.[Zn+2].
What is the InChIKey of zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate?
The InChIKey is WBFLFDLCTGVMOP-OZPLOXNPSA-L. The full InChI is InChI=1S/C24H24N6S2.Zn/c1-30(2)24(32)29-27-22(19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)26-28-23(31)25-20-16-10-5-11-17-20;/h3-17H,1-2H3,(H,29,32)(H2,25,28,31);/q;+2/p-2/b26-21+,27-22+;.
What are the key properties of zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate?
zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate has a molecular weight of 524.01 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc N'-[(E)-[(2E)-1,2-diphenyl-2-[(N-phenyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]-N,N-dimethylcarbamimidothioate is sourced from PubChem (CID 56956464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).