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166766-89-8 molecular structure
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tributyl(3-methylthiophen-2-yl)stannane

ChemBase ID: 64231
Molecular Formular: C17H32SSn
Molecular Mass: 387.20198
Monoisotopic Mass: 388.12466602
SMILES and InChIs

SMILES:
c1(c(ccs1)C)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1sccc1C)(CCCC)CCCC
InChI:
InChI=1S/C5H5S.3C4H9.Sn/c1-5-2-3-6-4-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey:
MSKNSVGPYFVXHC-UHFFFAOYSA-N

Cite this record

CBID:64231 http://www.chembase.cn/molecule-64231.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(3-methylthiophen-2-yl)stannane
IUPAC Traditional name
tributyl(3-methylthiophen-2-yl)stannane
Synonyms
3-Methyl-2-(tributylstannyl)thiophene
CAS Number
166766-89-8
MDL Number
MFCD09025807
PubChem SID
162029970
PubChem CID
15211846

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15211846 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.192  LogD (pH = 7.4) 5.192 
Log P 5.192  Molar Refractivity 85.1969 cm3
Polarizability 38.161804 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
94% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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