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132089-34-0 molecular structure
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ethyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate

ChemBase ID: 810792
Molecular Formular: C12H10ClNO2S
Molecular Mass: 267.7313
Monoisotopic Mass: 267.01207725
SMILES and InChIs

SMILES:
s1c(nc(c1)C(=O)OCC)c1cc(ccc1)Cl
Canonical SMILES:
CCOC(=O)c1csc(n1)c1cccc(c1)Cl
InChI:
InChI=1S/C12H10ClNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKey:
HSOTXXRVHCFIHM-UHFFFAOYSA-N

Cite this record

CBID:810792 http://www.chembase.cn/molecule-810792.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
IUPAC Traditional name
ethyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
Synonyms
2-(3-CHLORO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
CAS Number
132089-34-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29745 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29745 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) 3.806988  LogD (pH = 7.4) 3.8069887 
Log P 3.8069887  Molar Refractivity 77.5747 cm3
Polarizability 26.558622 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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