bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel

C18H20N4NiS4 — CID 4320080

IUPACbis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel
SMILES[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[Ni]
InChIInChI=1S/2C9H10N2S2.Ni/c2*1-13-9(12)11-10-7-8-5-3-2-4-6-8;/h2*2-7H,1H3,(H,11,12);
InChIKeyYDGNUNWAEVAELN-UHFFFAOYSA-N
MW479.35 g/mol
LogP4.25
Rot. Bonds4

About bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel

bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel (PubChem CID 4320080) has the molecular formula C18H20N4NiS4 and a molecular weight of 479.35 g/mol. Its IUPAC name is bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel.

Molecular Properties

Compound Namebis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel
PubChem CID4320080
Molecular FormulaC18H20N4NiS4
Molecular Weight479.35 g/mol
Exact Mass477.99
IUPAC Namebis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel
SMILES[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[Ni]
InChIInChI=1S/2C9H10N2S2.Ni/c2*1-13-9(12)11-10-7-8-5-3-2-4-6-8;/h2*2-7H,1H3,(H,11,12);
InChIKeyYDGNUNWAEVAELN-UHFFFAOYSA-N
XLogP4.25
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis[N-methyl-2-benzylidenehydrazinoethyl]disulfide
CID 9571205
N-(benzylideneamino)-2-[2-[(benzylideneamino)-methylamino]ethyldisulfanyl]-N-methylethanamine
CID 284811
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);platinum
CID 3253054
Bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper
CID 3390067
Copper;bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide)
CID 3409011
Bis((benzhydrylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel
CID 3445843
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);nickel
CID 3876462
Bis([amino(sulfoniumylidene)methyl]-(benzylideneamino)azanide);nickel
CID 3952735
Bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);platinum
CID 4032774
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);ZINC
CID 4034096
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide);palladium
CID 4235717
Bis([amino(sulfoniumylidene)methyl]-(benzylideneamino)azanide);palladium
CID 4271399

Frequently Asked Questions

What is the IUPAC name of bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel?
The IUPAC name of bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel (CID 4320080) is bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel.
What is the SMILES notation for bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel?
The canonical SMILES for bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel is [H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[Ni].
What is the InChIKey of bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel?
The InChIKey is YDGNUNWAEVAELN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2S2.Ni/c2*1-13-9(12)11-10-7-8-5-3-2-4-6-8;/h2*2-7H,1H3,(H,11,12);.
What are the key properties of bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel?
bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel has a molecular weight of 479.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel is sourced from PubChem (CID 4320080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).