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13453-46-5 molecular structure
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bis($l^{1}-thallanylium) sulfite

ChemBase ID: 107186
Molecular Formular: O3STl2
Molecular Mass: 488.8298
Monoisotopic Mass: 489.90566886
SMILES and InChIs

SMILES:
[Tl+].[Tl+].[O-]S(=O)[O-]
Canonical SMILES:
[O-]S(=O)[O-].[Tl+].[Tl+]
InChI:
InChI=1S/H2O3S.2Tl/c1-4(2)3;;/h(H2,1,2,3);;/q;2*+1/p-2
InChIKey:
IMFKJQXIWFBWIC-UHFFFAOYSA-L

Cite this record

CBID:107186 http://www.chembase.cn/molecule-107186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis($l^{1}-thallanylium) sulfite
IUPAC Traditional name
dithallium(1+) sulfite
Synonyms
THALLIUM SULFITE
CAS Number
13453-46-5
PubChem SID
162093419
PubChem CID
25022207

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202868 external link Add to cart Please log in.
Data Source Data ID
PubChem 25022207 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.669346  H Acceptors
H Donor LogD (pH = 5.5) -3.4606745 
LogD (pH = 7.4) -3.4734561  Log P -1.1546873 
Molar Refractivity 10.0845 cm3 Polarizability 5.3231616 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202868 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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