Ethyl 2-Amino-5-bromothiazole-4-carboxylate - CAS 61830-21-5

Catalog:	BB031277
Product Name:	Ethyl 2-Amino-5-bromothiazole-4-carboxylate
CAS:	61830-21-5
Synonyms:	2-amino-5-bromo-4-thiazolecarboxylic acid ethyl ester; ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate
Description:	Ethyl 2-Amino-5-bromothiazole-4-carboxylate (CAS# 61830-21-5) is a useful research chemical.
Molecular Weight:	251.10
Molecular Formula:	C6H7BrN2O2S
Canonical SMILES:	CCOC(=O)C1=C(SC(=N1)N)Br
InChI:	InChI=1S/C6H7BrN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
InChI Key:	TWGNDRMYYDZGFI-UHFFFAOYSA-N
Boiling Point:	357 °C at 760 mmHg
Density:	1.731 g/cm³
Appearance:	Orange to red powder
MDL:	MFCD06669909
LogP:	2.24570

Publication Number	Title	Priority Date
WO-2021207530-A1	Compounds and methods for modulating splicing	20200408
WO-2021018857-A1	3,6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their uses as pro-apoptotic agents	20190729
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
CN-106602151-A	Environment-friendly lead storage battery electrolyte and preparation method thereof	20170206
AU-2007267191-A1	Thiazole derivatives	20060601

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.94116
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.94116
Rotatable Bond Count:	3
Topological Polar Surface Area:	93.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2