Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate - CAS 132089-32-8

Name: Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate
Brand: BOC Sciences
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Catalog:	BB007537
Product Name:	Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate
CAS:	132089-32-8
Synonyms:	ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Technical Data

IUPAC Name:	ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
Description:	Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate (CAS# 132089-32-8) is a useful research chemical.
Molecular Weight:	247.31
Molecular Formula:	C13H13NO2S
Canonical SMILES:	CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)C
InChI:	InChI=1S/C13H13NO2S/c1-3-16-13(15)11-8-17-12(14-11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChI Key:	YJADELKTGPHXGE-UHFFFAOYSA-N
Boiling Point:	375.9 °C at 760 mmHg
Melting Point:	45-46 °C
Purity:	95 %
Density:	1.188 g/cm³
Appearance:	White to yellow solid
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD01935979
LogP:	3.29520

Publication Number	Title	Priority Date
WO-2021019051-A1	Inhibitors of human atgl	20190730
US-2013211075-A1	Amide derivative and use thereof	20101014
US-9150555-B2	Amide derivative and use thereof	20101014
EP-1727808-B1	Biaryl amino acids and their use in dna binding oligomers	20040301
US-2007249591-A1	Biaryl Amino Acids and Their Use in Dna Binding Oligomers	20040301

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.06669983
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.06669983
Rotatable Bond Count:	4
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5