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446285-61-6 molecular structure
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2-ethoxy-5-(tributylstannyl)-1,3-thiazole

ChemBase ID: 64221
Molecular Formular: C17H33NOSSn
Molecular Mass: 418.21602
Monoisotopic Mass: 419.13047968
SMILES and InChIs

SMILES:
s1c(cnc1OCC)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1cnc(s1)OCC)(CCCC)CCCC
InChI:
InChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;
InChIKey:
HKTFMFBUSSUPGJ-UHFFFAOYSA-N

Cite this record

CBID:64221 http://www.chembase.cn/molecule-64221.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethoxy-5-(tributylstannyl)-1,3-thiazole
IUPAC Traditional name
2-ethoxy-5-(tributylstannyl)-1,3-thiazole
Synonyms
(2-Ethoxy-1,3-thiazol-5-yl)tributylstannane
2-Ethoxy-5-(tributylstannyl)-1,3-thiazole, tech
2-Ethoxy-5-(tributylstannyl)thiazole
CAS Number
446285-61-6
MDL Number
MFCD09025788
PubChem SID
162029960
PubChem CID
16427118

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16427118 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.40499  LogD (pH = 7.4) 4.4049997 
Log P 4.405  Molar Refractivity 88.9434 cm3
Polarizability 39.96787 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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