Home > Compound List > Compound details
21109-95-5 molecular structure
click picture or here to close

barium(2+) ion sulfanediide

ChemBase ID: 126035
Molecular Formular: BaS
Molecular Mass: 169.392
Monoisotopic Mass: 169.877318
SMILES and InChIs

SMILES:
[Ba+2].[SH2-2]
Canonical SMILES:
[SH2-2].[Ba+2]
InChI:
InChI=1S/Ba.S/q+2;-2
InChIKey:
CJDPJFRMHVXWPT-UHFFFAOYSA-N

Cite this record

CBID:126035 http://www.chembase.cn/molecule-126035.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
barium(2+) ion sulfanediide
IUPAC Traditional name
barium(2+) ion sulfanediide
Synonyms
Barium sulfide, tech.
Barium sulfide
Barium sulfide
硫化钡, tech.
硫化钡
CAS Number
21109-95-5
EC Number
244-214-4
MDL Number
MFCD00014192
Merck Index
14995
PubChem SID
162220376
PubChem CID
6857597
CHEBI ID
32590
Chemspider ID
5256933
Wikipedia Title
Barium_sulfide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

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)
Solubility
2.88 g/100 mL (0 °C)
7.68 g/100 mL (20 °C)
60.3 g/100 mL (100 °C) in water
expand Show data source
insoluble in alcohol expand Show data source
Apperance
-200 Mesh Powder expand Show data source
Melting Point
1200 °C expand Show data source
1200°C expand Show data source
Boiling Point
decomposes expand Show data source
Density
4.25 expand Show data source
4.25 g/cm3 expand Show data source
Refractive Index
2.155 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Dangerous for the environment (N) expand Show data source
Harmful (Xn) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
UN Number
UN3134 expand Show data source
Hazard Class
4.3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/22-31-50 expand Show data source
R20/22, R31, R50 expand Show data source
Safety Statements
2-28-61 expand Show data source
28-61 expand Show data source
S2, S28, S61 expand Show data source
TSCA Listed
expand Show data source
EU Index
016-002-00-X expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
NFPA704
NFPA 704 diagram
3
2
0
expand Show data source
GHS Hazard statements
H331-H302-H261-H400 expand Show data source
H400-H302-H332 expand Show data source
GHS Precautionary statements
P231+P232-P261-P280-P321-P405-P501A expand Show data source
P261-P273-P304+P340-P301+P312-P312-P501A expand Show data source
Purity
99.7% (metals basis) expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle