Ethyl 2-(4-Thiazolyl)acetate - CAS 120155-43-3

Catalog:	BB004730
Product Name:	Ethyl 2-(4-Thiazolyl)acetate
CAS:	120155-43-3
Synonyms:	2-(4-thiazolyl)acetic acid ethyl ester; ethyl 2-(1,3-thiazol-4-yl)acetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-(1,3-thiazol-4-yl)acetate
Description:	Ethyl 2-(4-Thiazolyl)acetate (CAS# 120155-43-3) is a useful research chemical.
Molecular Weight:	171.22
Molecular Formula:	C7H9NO2S
Canonical SMILES:	CCOC(=O)CC1=CSC=N1
InChI:	InChI=1S/C7H9NO2S/c1-2-10-7(9)3-6-4-11-5-8-6/h4-5H,2-3H2,1H3
InChI Key:	UMCBKPOYFXBWBZ-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.24870

Publication Number	Title	Priority Date
WO-2020257429-A1	Ectonucleotidase inhibitors and methods of use thereof	20190620
TW-202010750-A	Ectonucleotidase inhibitors and methods of use thereof	20180621
US-2019389899-A1	Ectonucleotidase inhibitors and methods of use thereof	20180621
WO-2019246403-A1	Ectonucleotidase inhibitors and methods of use thereof	20180621
AU-2019288495-A1	Ectonucleotidase inhibitors and methods of use thereof	20180621

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.03539970
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.03539970
Rotatable Bond Count:	4
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1