(Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel

C32H28NiO2S8-4 — CID 58219140

About (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel

(Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel (PubChem CID 58219140) has the molecular formula C32H28NiO2S8-4 and a molecular weight of 759.80 g/mol. Its IUPAC name is (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel.

Molecular Properties

• Compound Name: (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel
• PubChem CID: 58219140
• Molecular Formula: C32H28NiO2S8-4
• Molecular Weight: 759.80 g/mol
• Exact Mass: 757.92
• IUPAC Name: (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel
• SMILES: COc1ccc(S/C([S-])=C(/[S-])Sc2ccc(OC)cc2)cc1.Cc1ccc(S/C([S-])=C(/[S-])Sc2ccc(C)cc2)cc1.[Ni]
• InChI: InChI=1S/C16H16O2S4.C16H16S4.Ni/c1-17-11-3-7-13(8-4-11)21-15(19)16(20)22-14-9-5-12(18-2)6-10-14;1-11-3-7-13(8-4-11)19-15(17)16(18)20-14-9-5-12(2)6-10-14;/h3-10,19-20H,1-2H3;3-10,17-18H,1-2H3;/p-4/b2*16-15-
• InChIKey: ZPLFOEFPSTTYSD-JZONXAMZSA-J
• XLogP: 10.21
• TPSA: 18.46 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.80
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel?

The IUPAC name of (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel (CID 58219140) is (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel.

What is the SMILES notation for (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel?

The canonical SMILES for (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel is COc1ccc(S/C([S-])=C(/[S-])Sc2ccc(OC)cc2)cc1.Cc1ccc(S/C([S-])=C(/[S-])Sc2ccc(C)cc2)cc1.[Ni].

What is the InChIKey of (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel?

The InChIKey is ZPLFOEFPSTTYSD-JZONXAMZSA-J. The full InChI is InChI=1S/C16H16O2S4.C16H16S4.Ni/c1-17-11-3-7-13(8-4-11)21-15(19)16(20)22-14-9-5-12(18-2)6-10-14;1-11-3-7-13(8-4-11)19-15(17)16(18)20-14-9-5-12(2)6-10-14;/h3-10,19-20H,1-2H3;3-10,17-18H,1-2H3;/p-4/b2*16-15-;.

What are the key properties of (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel?

(Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel has a molecular weight of 759.80 g/mol, XLogP of 10.21, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,2-bis[(4-methoxyphenyl)sulfanyl]ethene-1,2-dithiolate;(Z)-1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiolate;nickel is sourced from PubChem (CID 58219140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).