cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide

C48H80Co6P6S8-2 — CID 6419097

IUPACcobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.[Co].[Co].[Co].[Co].[Co].[Co].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C8H11P.6Co.8H2S/c6*1-9(2)8-6-4-3-5-7-8;;;;;;;;;;;;;;/h6*3-7H,1-2H3;;;;;;;8*1H2/p-2
InChIKeyWYXFSICBVIHXAS-UHFFFAOYSA-L
MW1453.15 g/mol
LogP8.54
Rot. Bonds6

About cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide

cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide (PubChem CID 6419097) has the molecular formula C48H80Co6P6S8-2 and a molecular weight of 1453.15 g/mol. Its IUPAC name is cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide.

Molecular Properties

Compound Namecobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide
PubChem CID6419097
Molecular FormulaC48H80Co6P6S8-2
Molecular Weight1453.15 g/mol
Exact Mass1451.85
IUPAC Namecobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.[Co].[Co].[Co].[Co].[Co].[Co].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C8H11P.6Co.8H2S/c6*1-9(2)8-6-4-3-5-7-8;;;;;;;;;;;;;;/h6*3-7H,1-2H3;;;;;;;8*1H2/p-2
InChIKeyWYXFSICBVIHXAS-UHFFFAOYSA-L
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.15
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl(phenyl)phosphanium
CID 23415341
tetrakis(dimethyl(phenyl)phosphanium);platinum;dihydrate
CID 6395688
hexakis(dimethyl(phenyl)phosphanium);platinum;dihydrate
CID 6395690
cyclopropane;bis(dimethyl(phenyl)phosphanium);platinum(2+)
CID 6397084
carbon monoxide;dichloroplatinum;dimethyl(phenyl)phosphanium
CID 6367968
carbanide;gold(3+);methyl(diphenyl)phosphanium
CID 6327558
palladium;tetrakis(triphenylphosphanium)
CID 54587875
hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;triphenylphosphanium
CID 22229115
bis(methyl(diphenyl)phosphanium);trichlorovanadium
CID 140811308
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698
carbanide;dichlororuthenium;triphenylphosphanium
CID 59680687

Frequently Asked Questions

What is the IUPAC name of cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide?
The IUPAC name of cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide (CID 6419097) is cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide.
What is the SMILES notation for cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide?
The canonical SMILES for cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide is C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.[Co].[Co].[Co].[Co].[Co].[Co].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide?
The InChIKey is WYXFSICBVIHXAS-UHFFFAOYSA-L. The full InChI is InChI=1S/6C8H11P.6Co.8H2S/c6*1-9(2)8-6-4-3-5-7-8;;;;;;;;;;;;;;/h6*3-7H,1-2H3;;;;;;;8*1H2/p-2.
What are the key properties of cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide?
cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide has a molecular weight of 1453.15 g/mol, XLogP of 8.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;hexakis(dimethyl(phenyl)phosphanium);sulfanide is sourced from PubChem (CID 6419097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).