Ethyl 2-(2-Thiazolyl)acetate - CAS 141704-11-2

Catalog:	BB009221
Product Name:	Ethyl 2-(2-Thiazolyl)acetate
CAS:	141704-11-2
Synonyms:	2-(2-thiazolyl)acetic acid ethyl ester; ethyl 2-(1,3-thiazol-2-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(1,3-thiazol-2-yl)acetate
Description:	Ethyl 2-(2-Thiazolyl)acetate (CAS# 141704-11-2) is a useful research chemical.
Molecular Weight:	171.22
Molecular Formula:	C7H9NO2S
Canonical SMILES:	CCOC(=O)CC1=NC=CS1
InChI:	InChI=1S/C7H9NO2S/c1-2-10-7(9)5-6-8-3-4-11-6/h3-4H,2,5H2,1H3
InChI Key:	OTMKLBXQEYBHJE-UHFFFAOYSA-N
Boiling Point:	240.5 °C at 760 mmHg
Density:	1.21 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD12114489
LogP:	1.24870

Publication Number	Title	Priority Date
CN-109771420-A	2-(2- thiazolyl) medical usage of the ethyl acetate in Killing Mycobacterium Tuberculosis infection	20190315
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
TW-202033504-A	Compounds and compositions for treating conditions associated with nlrp activity	20181116
EP-3880659-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
WO-2020102096-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181113

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Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0353997
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.0353997
Rotatable Bond Count:	4
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1