bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel

C24H36NiS8Si4-4 — CID 59155586

IUPACbis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel
SMILESC[Si](C)(C)C#CS/C([S-])=C(/[S-])SC#C[Si](C)(C)C.C[Si](C)(C)C#CS/C([S-])=C(/[S-])SC#C[Si](C)(C)C.[Ni]
InChIInChI=1S/2C12H20S4Si2.Ni/c2*1-17(2,3)9-7-15-11(13)12(14)16-8-10-18(4,5)6;/h2*13-14H,1-6H3;/p-4/b2*12-11-;
InChIKeyRNFPLQRWOJAGHT-ZELJJWTBSA-J
MW752.12 g/mol
LogP8.70
Rot. Bonds4

About bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel

bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel (PubChem CID 59155586) has the molecular formula C24H36NiS8Si4-4 and a molecular weight of 752.12 g/mol. Its IUPAC name is bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel.

Molecular Properties

Compound Namebis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel
PubChem CID59155586
Molecular FormulaC24H36NiS8Si4-4
Molecular Weight752.12 g/mol
Exact Mass749.90
IUPAC Namebis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel
SMILESC[Si](C)(C)C#CS/C([S-])=C(/[S-])SC#C[Si](C)(C)C.C[Si](C)(C)C#CS/C([S-])=C(/[S-])SC#C[Si](C)(C)C.[Ni]
InChIInChI=1S/2C12H20S4Si2.Ni/c2*1-17(2,3)9-7-15-11(13)12(14)16-8-10-18(4,5)6;/h2*13-14H,1-6H3;/p-4/b2*12-11-;
InChIKeyRNFPLQRWOJAGHT-ZELJJWTBSA-J
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.12
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel?
The IUPAC name of bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel (CID 59155586) is bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel.
What is the SMILES notation for bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel?
The canonical SMILES for bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel is C[Si](C)(C)C#CS/C([S-])=C(/[S-])SC#C[Si](C)(C)C.C[Si](C)(C)C#CS/C([S-])=C(/[S-])SC#C[Si](C)(C)C.[Ni].
What is the InChIKey of bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel?
The InChIKey is RNFPLQRWOJAGHT-ZELJJWTBSA-J. The full InChI is InChI=1S/2C12H20S4Si2.Ni/c2*1-17(2,3)9-7-15-11(13)12(14)16-8-10-18(4,5)6;/h2*13-14H,1-6H3;/p-4/b2*12-11-;.
What are the key properties of bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel?
bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel has a molecular weight of 752.12 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-1,2-bis(2-trimethylsilylethynylsulfanyl)ethene-1,2-dithiolate);nickel is sourced from PubChem (CID 59155586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).