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885279-53-8 molecular structure
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2-(2-ethylphenyl)-1,3-thiazole-4-carbaldehyde

ChemBase ID: 810809
Molecular Formular: C12H11NOS
Molecular Mass: 217.28684
Monoisotopic Mass: 217.05613498
SMILES and InChIs

SMILES:
s1c(nc(c1)C=O)c1c(cccc1)CC
Canonical SMILES:
CCc1ccccc1c1scc(n1)C=O
InChI:
InChI=1S/C12H11NOS/c1-2-9-5-3-4-6-11(9)12-13-10(7-14)8-15-12/h3-8H,2H2,1H3
InChIKey:
DCWZGBQXMBBOGM-UHFFFAOYSA-N

Cite this record

CBID:810809 http://www.chembase.cn/molecule-810809.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-ethylphenyl)-1,3-thiazole-4-carbaldehyde
IUPAC Traditional name
2-(2-ethylphenyl)-1,3-thiazole-4-carbaldehyde
Synonyms
2-(2-ETHYL-PHENYL)-THIAZOLE-4-CARBALDEHYDE
CAS Number
885279-53-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29775 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29775 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.001838  LogD (pH = 7.4) 4.0018444 
Log P 4.0018444  Molar Refractivity 72.209 cm3
Polarizability 23.890722 Å3 Polar Surface Area 29.96 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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