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12013-10-4 molecular structure
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λ4-cobalt(4+) ion disulfanediide

ChemBase ID: 302982
Molecular Formular: CoS2
Molecular Mass: 123.0632
Monoisotopic Mass: 122.877337
SMILES and InChIs

SMILES:
[SH2-2].[SH2-2].[Co+4]
Canonical SMILES:
[SH2-2].[SH2-2].[Co+4]
InChI:
InChI=1S/Co.2S/q+4;2*-2
InChIKey:
OTYWKQGQJMXRPW-UHFFFAOYSA-N

Cite this record

CBID:302982 http://www.chembase.cn/molecule-302982.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ4-cobalt(4+) ion disulfanediide
IUPAC Traditional name
λ4-cobalt(4+) ion disulfanediide
Synonyms
Cobalt(IV) sulfide
硫化钴(IV)
CAS Number
12013-10-4
MDL Number
MFCD00064735

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 14005 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.06446023  LogD (pH = 7.4) -0.7196984 
Log P -0.0375  Molar Refractivity 5.7558 cm3
Polarizability 3.055504 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
-200 Mesh Powder expand Show data source
RTECS
GG3310000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3077 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
43-50/53 expand Show data source
Safety Statements
24-37-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H400-H410-H317 expand Show data source
GHS Precautionary statements
P261-P280-P302+P352-P321-P363-P501A expand Show data source
Purity
99.5% (metals basis excluding Ni), Ni <0.2% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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