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MFCD01319034 molecular structure
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tributyl(5-methylthiophen-2-yl)stannane

ChemBase ID: 91480
Molecular Formular: C17H32SSn
Molecular Mass: 387.20198
Monoisotopic Mass: 388.12466602
SMILES and InChIs

SMILES:
[Sn](c1ccc(s1)C)(CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1ccc(s1)C)(CCCC)CCCC
InChI:
InChI=1S/C5H5S.3C4H9.Sn/c1-5-3-2-4-6-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKey:
GOFOMJMAFIFSDO-UHFFFAOYSA-N

Cite this record

CBID:91480 http://www.chembase.cn/molecule-91480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(5-methylthiophen-2-yl)stannane
IUPAC Traditional name
tributyl(5-methylthiophen-2-yl)stannane
Synonyms
5-Methyl-2-tributylstannylthiophene
MDL Number
MFCD01319034
PubChem SID
162078179
PubChem CID
2737003

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2737003 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3452  LogD (pH = 7.4) 5.3452 
Log P 5.3452  Molar Refractivity 85.212 cm3
Polarizability 38.165066 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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