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12031-49-1 molecular structure
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dilanthanum(3+) ion trisulfanediide

ChemBase ID: 111980
Molecular Formular: La2S3
Molecular Mass: 374.006
Monoisotopic Mass: 373.728919
SMILES and InChIs

SMILES:
[SH2-2].[SH2-2].[SH2-2].[La+3].[La+3]
Canonical SMILES:
[SH2-2].[SH2-2].[SH2-2].[La+3].[La+3]
InChI:
InChI=1S/2La.3S/q2*+3;3*-2
InChIKey:
YTYSNXOWNOTGMY-UHFFFAOYSA-N

Cite this record

CBID:111980 http://www.chembase.cn/molecule-111980.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dilanthanum(3+) ion trisulfanediide
IUPAC Traditional name
dilanthanum(3+) trisulfide
dilanthanum(3+) ion trisulfanediide
Synonyms
LANTHANUM SULFIDE, LA(2)S(3)
Lanthanum(III) sulfide
硫化镧(III)
CAS Number
12031-49-1
EC Number
234-752-8
MDL Number
MFCD00016168
PubChem SID
162096760
PubChem CID
165996

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 165996 external link

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
Powder expand Show data source
Melting Point
2100°C in vac. expand Show data source
Density
4.911 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN3134 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
31-36/37/38 expand Show data source
Safety Statements
28 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H261-H315-H319-H335 expand Show data source
GHS Precautionary statements
P231+P232-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
99% (REO) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05222033 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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