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885278-72-8 molecular structure
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2-[3-(benzyloxy)phenyl]-1,3-thiazole-4-carbaldehyde

ChemBase ID: 810803
Molecular Formular: C17H13NO2S
Molecular Mass: 295.35562
Monoisotopic Mass: 295.06669966
SMILES and InChIs

SMILES:
s1c(nc(c1)C=O)c1cc(ccc1)OCc1ccccc1
Canonical SMILES:
O=Cc1csc(n1)c1cccc(c1)OCc1ccccc1
InChI:
InChI=1S/C17H13NO2S/c19-10-15-12-21-17(18-15)14-7-4-8-16(9-14)20-11-13-5-2-1-3-6-13/h1-10,12H,11H2
InChIKey:
OEPOKWHJYJXUGD-UHFFFAOYSA-N

Cite this record

CBID:810803 http://www.chembase.cn/molecule-810803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(benzyloxy)phenyl]-1,3-thiazole-4-carbaldehyde
IUPAC Traditional name
2-[3-(benzyloxy)phenyl]-1,3-thiazole-4-carbaldehyde
Synonyms
2-(3-BENZYLOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE
CAS Number
885278-72-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29766 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6106505  LogD (pH = 7.4) 4.6106563 
Log P 4.6106563  Molar Refractivity 93.6426 cm3
Polarizability 32.396217 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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