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211943-05-4 molecular structure
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4-ethyl-1,3-thiazole-2-carbaldehyde

ChemBase ID: 294904
Molecular Formular: C6H7NOS
Molecular Mass: 141.19088
Monoisotopic Mass: 141.02483485
SMILES and InChIs

SMILES:
CCc1csc(C=O)n1
Canonical SMILES:
CCc1csc(n1)C=O
InChI:
InChI=1S/C6H7NOS/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3
InChIKey:
JDGBKOBUBCHSGF-UHFFFAOYSA-N

Cite this record

CBID:294904 http://www.chembase.cn/molecule-294904.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethyl-1,3-thiazole-2-carbaldehyde
IUPAC Traditional name
4-ethyl-1,3-thiazole-2-carbaldehyde
Synonyms
4-Ethylthiazole-2-carbaldehyde
CAS Number
211943-05-4
MDL Number
MFCD11520452
PubChem SID
180680435
PubChem CID
45083410

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD42555 Please log in.
Data Source Data ID
PubChem 45083410 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8426802  LogD (pH = 7.4) 1.8426846 
Log P 1.8426846  Molar Refractivity 36.5328 cm3
Polarizability 13.658047 Å3 Polar Surface Area 29.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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