nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)

C20H22N4NiS2 — CID 5245817

IUPACnickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
SMILESCC([S-])=NN=C(C)c1ccccc1.CC([S-])=NN=C(C)c1ccccc1.[Ni+2]
InChIInChI=1S/2C10H12N2S.Ni/c2*1-8(11-12-9(2)13)10-6-4-3-5-7-10;/h2*3-7H,1-2H3,(H,12,13);/q;;+2/p-2
InChIKeyZDCYNRIUTJYBBP-UHFFFAOYSA-L
MW441.25 g/mol
LogP4.75
Rot. Bonds4

About nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)

nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane) (PubChem CID 5245817) has the molecular formula C20H22N4NiS2 and a molecular weight of 441.25 g/mol. Its IUPAC name is nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane).

Molecular Properties

Compound Namenickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
PubChem CID5245817
Molecular FormulaC20H22N4NiS2
Molecular Weight441.25 g/mol
Exact Mass440.06
IUPAC Namenickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)
SMILESCC([S-])=NN=C(C)c1ccccc1.CC([S-])=NN=C(C)c1ccccc1.[Ni+2]
InChIInChI=1S/2C10H12N2S.Ni/c2*1-8(11-12-9(2)13)10-6-4-3-5-7-10;/h2*3-7H,1-2H3,(H,12,13);/q;;+2/p-2
InChIKeyZDCYNRIUTJYBBP-UHFFFAOYSA-L
XLogP4.75
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 127025281
CID 127025281
1,2,3-tris(1-phenylethylideneamino)guanidine
CID 5226187
2-[C-methyl-N-(1-phenylethylideneamino)carbonimidoyl]benzoic acid
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N'-[(E)-1-phenylethylideneamino]-N-(triphenyl-λ5-phosphanylidene)ethanimidamide
CID 12012455
(Z)-1,2-diphenyl-N-[(Z)-1-phenylethylideneamino]ethanimine
CID 6377356
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
(E)-1,2-diphenylethene-1,2-dithiolate
CID 102075609
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
4-[(Z)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 135490404
(2Z)-1,2-diphenyl-2-[(E)-1-pyridin-4-ylethylidenehydrazinylidene]ethanone
CID 50932502
N-[(benzhydrylideneamino)-methylamino]-N-(1-phenylethylideneamino)methanamine
CID 91258409

Frequently Asked Questions

What is the IUPAC name of nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)?
The IUPAC name of nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane) (CID 5245817) is nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane).
What is the SMILES notation for nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)?
The canonical SMILES for nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane) is CC([S-])=NN=C(C)c1ccccc1.CC([S-])=NN=C(C)c1ccccc1.[Ni+2].
What is the InChIKey of nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)?
The InChIKey is ZDCYNRIUTJYBBP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H12N2S.Ni/c2*1-8(11-12-9(2)13)10-6-4-3-5-7-10;/h2*3-7H,1-2H3,(H,12,13);/q;;+2/p-2.
What are the key properties of nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane)?
nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane) has a molecular weight of 441.25 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(1-(1-phenylethylidenehydrazinylidene)-1-sulfidoethane) is sourced from PubChem (CID 5245817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).