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145483-63-2 molecular structure
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tributyl[5-(tributylstannyl)thiophen-2-yl]stannane

ChemBase ID: 142890
Molecular Formular: C28H56SSn2
Molecular Mass: 662.21124
Monoisotopic Mass: 664.21466079
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)c1ccc(s1)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1ccc(s1)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChI:
InChI=1S/C4H2S.6C4H9.2Sn/c1-2-4-5-3-1;6*1-3-4-2;;/h1-2H;6*1,3-4H2,2H3;;
InChIKey:
ITAZQNRIMIQTDI-UHFFFAOYSA-N

Cite this record

CBID:142890 http://www.chembase.cn/molecule-142890.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl[5-(tributylstannyl)thiophen-2-yl]stannane
IUPAC Traditional name
tributyl[5-(tributylstannyl)thiophen-2-yl]stannane
Synonyms
2,5-Bis(tributylstannyl)thiophene
2,5-双(三丁基甲锡烷基)噻吩
CAS Number
145483-63-2
MDL Number
MFCD13193232
PubChem SID
162237116
PubChem CID
15210333

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
717703 external link Add to cart Please log in.
Data Source Data ID
PubChem 15210333 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.7336  LogD (pH = 7.4) 7.7336 
Log P 7.7336  Molar Refractivity 137.1476 cm3
Polarizability 63.861176 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 20  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.201 g/mL at 25 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2788 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
RID/ADR
UN 2788 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C28H56SSn2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 717703 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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