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157025-33-7 molecular structure
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5-(tributylstannyl)-1,3-thiazole

ChemBase ID: 64143
Molecular Formular: C15H29NSSn
Molecular Mass: 374.16346
Monoisotopic Mass: 375.10426493
SMILES and InChIs

SMILES:
c1(scnc1)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1scnc1)(CCCC)CCCC
InChI:
InChI=1S/3C4H9.C3H2NS.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1,3H;
InChIKey:
GOWNSHUNTJWVOM-UHFFFAOYSA-N

Cite this record

CBID:64143 http://www.chembase.cn/molecule-64143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(tributylstannyl)-1,3-thiazole
IUPAC Traditional name
5-(tributylstannyl)-1,3-thiazole
Synonyms
(1,3-Thiazol-5-yl)tributylstannane
5-(Tributylstannyl)-1,3-thiazole
5-(Tributylstannyl)thiazole
tributyl(thiazol-5-yl)stannane
CAS Number
157025-33-7
MDL Number
MFCD01319074
PubChem SID
162029882
PubChem CID
2763257

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.404115  LogD (pH = 7.4) 3.40568 
Log P 3.4057  Molar Refractivity 78.2583 cm3
Polarizability 35.57577 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Toxic/Harmful/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
93% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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