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13778-40-0 molecular structure
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dithulium(3+) ion octahydrate trisulfate

ChemBase ID: 137728
Molecular Formular: H16O20S3Tm2
Molecular Mass: 770.17846
Monoisotopic Mass: 769.80813191
SMILES and InChIs

SMILES:
O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Tm+3].[Tm+3]
Canonical SMILES:
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Tm+3].[Tm+3]
InChI:
InChI=1S/3H2O4S.8H2O.2Tm/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6
InChIKey:
GPBYLGMJMIXKMU-UHFFFAOYSA-H

Cite this record

CBID:137728 http://www.chembase.cn/molecule-137728.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dithulium(3+) ion octahydrate trisulfate
IUPAC Traditional name
dithulium(3+) ion octahydrate trisulfate
Synonyms
Sulfuric acid thulium(III) salt octahydrate
Thulium(III) sulfate octahydrate
硫酸 铥(III) 盐 八水合物
硫酸铥(III) 八水合物
八水合硫酸铥(III)
CAS Number
13778-40-0
EC Number
243-996-4
MDL Number
MFCD00149881
PubChem SID
24859554
162231989
PubChem CID
71310074

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71310074 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 11.5274 cm3 Polarizability 6.037845 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
Purity
99.9% trace metals basis expand Show data source
99.99% expand Show data source
Linear Formula
Tm2(SO4)3 · 8H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 326003 external link
Packaging
1 g in glass bottle
Application
Reactant in dehydration reactions1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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