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1245816-28-7 molecular structure
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[5-(tributylstannyl)-1,3-thiazol-2-yl]methanol

ChemBase ID: 65195
Molecular Formular: C16H31NOSSn
Molecular Mass: 404.18944
Monoisotopic Mass: 405.11482962
SMILES and InChIs

SMILES:
s1c(cnc1CO)[Sn](CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1cnc(s1)CO)(CCCC)CCCC
InChI:
InChI=1S/C4H4NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h1,6H,3H2;3*1,3-4H2,2H3;
InChIKey:
FMOOJVUQOVMBOS-UHFFFAOYSA-N

Cite this record

CBID:65195 http://www.chembase.cn/molecule-65195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(tributylstannyl)-1,3-thiazol-2-yl]methanol
IUPAC Traditional name
[5-(tributylstannyl)-1,3-thiazol-2-yl]methanol
Synonyms
2-Hydroxymethyl-5-(tributylstannyl)thiazole
CAS Number
1245816-28-7
MDL Number
MFCD18325153
PubChem SID
162030934
PubChem CID
66521769

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070528 external link Add to cart Please log in.
Data Source Data ID
PubChem 66521769 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.633432  H Acceptors
H Donor LogD (pH = 5.5) 2.8326163 
LogD (pH = 7.4) 2.8328962  Log P 2.8329 
Molar Refractivity 84.4012 cm3 Polarizability 38.074604 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT 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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