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

C18H20CuN4S4 — CID 3390067

IUPACbis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper
SMILES[Cu].[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC
InChIInChI=1S/2C9H10N2S2.Cu/c2*1-13-9(12)11-10-7-8-5-3-2-4-6-8;/h2*2-7H,1H3,(H,11,12);
InChIKeyHTZLWPHEMBCLGS-UHFFFAOYSA-N
MW484.20 g/mol
LogP4.25
Rot. Bonds4

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

bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper (PubChem CID 3390067) has the molecular formula C18H20CuN4S4 and a molecular weight of 484.20 g/mol. Its IUPAC name is bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper.

Molecular Properties

Compound Namebis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper
PubChem CID3390067
Molecular FormulaC18H20CuN4S4
Molecular Weight484.20 g/mol
Exact Mass482.99
IUPAC Namebis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper
SMILES[Cu].[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC
InChIInChI=1S/2C9H10N2S2.Cu/c2*1-13-9(12)11-10-7-8-5-3-2-4-6-8;/h2*2-7H,1H3,(H,11,12);
InChIKeyHTZLWPHEMBCLGS-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 ≤ 500484.20
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'}

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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
Copper;bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylethylideneamino)azanide)
CID 3409011
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
Bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);nickel
CID 4320080
Bis([methylsulfanyl(sulfoniumylidene)methyl]-(1-phenylpropylideneamino)azanide);platinum
CID 4334168

Frequently Asked Questions

What is the IUPAC name of bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper?
The IUPAC name of bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper (CID 3390067) is bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper.
What is the SMILES notation for bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper?
The canonical SMILES for bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper is [Cu].[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.[H]/[S+]=C(/[N-]N=Cc1ccccc1)SC.
What is the InChIKey of bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper?
The InChIKey is HTZLWPHEMBCLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2S2.Cu/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);copper?
bis((benzylideneamino)-[methylsulfanyl(sulfoniumylidene)methyl]azanide);copper has a molecular weight of 484.20 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);copper is sourced from PubChem (CID 3390067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).