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611168-64-0 molecular structure
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2-(methylsulfanyl)-5-(tributylstannyl)pyridine

ChemBase ID: 64220
Molecular Formular: C18H33NSSn
Molecular Mass: 414.22732
Monoisotopic Mass: 415.13556506
SMILES and InChIs

SMILES:
n1c(SC)ccc([Sn](CCCC)(CCCC)CCCC)c1
Canonical SMILES:
CCCC[Sn](c1ccc(nc1)SC)(CCCC)CCCC
InChI:
InChI=1S/C6H6NS.3C4H9.Sn/c1-8-6-4-2-3-5-7-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3;
InChIKey:
IHXKWCSTEAWEQY-UHFFFAOYSA-N

Cite this record

CBID:64220 http://www.chembase.cn/molecule-64220.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methylsulfanyl)-5-(tributylstannyl)pyridine
IUPAC Traditional name
2-(methylsulfanyl)-5-(tributylstannyl)pyridine
Synonyms
2-(Methylthio)-5-(tributylstannyl)pyridine
2-Methylthio-5-(tributylstannyl)pyridine
CAS Number
611168-64-0
MDL Number
MFCD09025805
PubChem SID
162029959
PubChem CID
16427117

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16427117 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1644125  LogD (pH = 7.4) 5.172792 
Log P 5.1729  Molar Refractivity 94.8055 cm3
Polarizability 41.73342 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 11  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
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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