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22205-45-4 molecular structure
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(cupriosulfanyl)copper

ChemBase ID: 140692
Molecular Formular: Cu2S
Molecular Mass: 159.157
Monoisotopic Mass: 157.831266
SMILES and InChIs

SMILES:
S([Cu])[Cu]
Canonical SMILES:
[Cu]S[Cu]
InChI:
InChI=1S/2Cu.S
InChIKey:
JESPAFKOCOFQIN-UHFFFAOYSA-N

Cite this record

CBID:140692 http://www.chembase.cn/molecule-140692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(cupriosulfanyl)copper
IUPAC Traditional name
(cupriosulfanyl)copper
Synonyms
Copper(I) sulfide
硫化亚铜
CAS Number
22205-45-4
EC Number
244-842-9
MDL Number
MFCD00016062
PubChem SID
24861068
162234933
24873523
PubChem CID
62755

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 62755 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8855  LogD (pH = 7.4) -0.8855 
Log P -0.8855  Molar Refractivity 5.7558 cm3
Polarizability 9.969149 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
powder expand Show data source
Density
5.6 g/mL at 25 °C(lit.) expand Show data source
RTECS
GL8910000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
99.99% trace metals basis expand Show data source
Grade
anhydrous expand Show data source
Particle Size
-325 mesh expand Show data source
Empirical Formula (Hill Notation)
Cu2S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 510653 external link
Packaging
5 g in ampule
Sigma Aldrich - 342459 external link
General description
Nonstoichiometric compound.
Other Notes
may contain a slight excess of S
Packaging
1 kg in poly bottle
250 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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