bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)

C24H28N2NiO2S4 — CID 10984592

IUPACbis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)
SMILESC/N=C(/C=C(\[S-])c1cccc(OC)c1)SC.C/N=C(/C=C(\[S-])c1cccc(OC)c1)SC.[Ni+2]
InChIInChI=1S/2C12H15NOS2.Ni/c2*1-13-12(16-3)8-11(15)9-5-4-6-10(7-9)14-2;/h2*4-8,15H,1-3H3;/q;;+2/p-2/b2*11-8-,13-12-;
InChIKeyVFLPUSHCSXGWCX-PGRJAMFESA-L
MW563.46 g/mol
LogP5.95
Rot. Bonds6

About bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)

bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+) (PubChem CID 10984592) has the molecular formula C24H28N2NiO2S4 and a molecular weight of 563.46 g/mol. Its IUPAC name is bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+).

Molecular Properties

Compound Namebis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)
PubChem CID10984592
Molecular FormulaC24H28N2NiO2S4
Molecular Weight563.46 g/mol
Exact Mass562.04
IUPAC Namebis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)
SMILESC/N=C(/C=C(\[S-])c1cccc(OC)c1)SC.C/N=C(/C=C(\[S-])c1cccc(OC)c1)SC.[Ni+2]
InChIInChI=1S/2C12H15NOS2.Ni/c2*1-13-12(16-3)8-11(15)9-5-4-6-10(7-9)14-2;/h2*4-8,15H,1-3H3;/q;;+2/p-2/b2*11-8-,13-12-;
InChIKeyVFLPUSHCSXGWCX-PGRJAMFESA-L
XLogP5.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)?
The IUPAC name of bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+) (CID 10984592) is bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+).
What is the SMILES notation for bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)?
The canonical SMILES for bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+) is C/N=C(/C=C(\[S-])c1cccc(OC)c1)SC.C/N=C(/C=C(\[S-])c1cccc(OC)c1)SC.[Ni+2].
What is the InChIKey of bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)?
The InChIKey is VFLPUSHCSXGWCX-PGRJAMFESA-L. The full InChI is InChI=1S/2C12H15NOS2.Ni/c2*1-13-12(16-3)8-11(15)9-5-4-6-10(7-9)14-2;/h2*4-8,15H,1-3H3;/q;;+2/p-2/b2*11-8-,13-12-;.
What are the key properties of bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+)?
bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+) has a molecular weight of 563.46 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-1-(3-methoxyphenyl)-3-methylimino-3-methylsulfanylprop-1-ene-1-thiolate);nickel(2+) is sourced from PubChem (CID 10984592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).