Ethyl 2-(2-Aminothiazol-5-ylthio)acetate - CAS 859522-19-3

Catalog:	BB037779
Product Name:	Ethyl 2-(2-Aminothiazol-5-ylthio)acetate
CAS:	859522-19-3
Synonyms:	2-[(2-amino-5-thiazolyl)thio]acetic acid ethyl ester; ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate
Description:	Ethyl 2-(2-Aminothiazol-5-ylthio)acetate (CAS# 859522-19-3 ) is a useful research chemical.
Molecular Weight:	218.30
Molecular Formula:	C7H10N2O2S2
Canonical SMILES:	CCOC(=O)CSC1=CN=C(S1)N
InChI:	InChI=1S/C7H10N2O2S2/c1-2-11-5(10)4-12-6-3-9-7(8)13-6/h3H,2,4H2,1H3,(H2,8,9)
InChI Key:	QRIYTBYTQBRMNL-UHFFFAOYSA-N
Boiling Point:	368.9 °C at 760 mmHg
Density:	1.36 g/cm³
MDL:	MFCD09702004
LogP:	1.96170

Publication Number	Title	Priority Date
EP-2931718-B1	Novel 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment	20121217
US-2015336946-A1	Novel 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment	20121217
US-9527838-B2	2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment	20121217
WO-2014099584-A1	Novel 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment	20121217
EP-2781521-A1	Novel spiroindoline compound, and medicinal agent comprising same	20111019

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Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.01836991
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.01836991
Rotatable Bond Count:	5
Topological Polar Surface Area:	119
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7