Ethyl 5-Bromo-4-thiazolecarboxylate - CAS 61830-23-7

Name: Ethyl 5-Bromo-4-thiazolecarboxylate
Brand: BOC Sciences
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Catalog:	BB031278
Product Name:	Ethyl 5-Bromo-4-thiazolecarboxylate
CAS:	61830-23-7
Synonyms:	5-bromo-4-thiazolecarboxylic acid ethyl ester; ethyl 5-bromo-1,3-thiazole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 5-bromo-1,3-thiazole-4-carboxylate
Description:	Ethyl 5-Bromo-4-thiazolecarboxylate (CAS# 61830-23-7) is a useful research chemical.
Molecular Weight:	236.09
Molecular Formula:	C6H6BrNO2S
Canonical SMILES:	CCOC(=O)C1=C(SC=N1)Br
InChI:	InChI=1S/C6H6BrNO2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2H2,1H3
InChI Key:	QKZGUSXVOYLZTM-UHFFFAOYSA-N
Boiling Point:	289 °C
Density:	1.654 g/cm³
Appearance:	Solid
MDL:	MFCD10699175
LogP:	2.08230

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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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

Publication Number	Title	Priority Date
CN-112939829-A	Synthetic method of aryl trifluoromethyl thioether	20210304
WO-2021208918-A1	Tricyclic compounds as egfr inhibitors	20200414
WO-2021207530-A1	Compounds and methods for modulating splicing	20200408
WO-2021105335-A1	Piperidine-2, 6-dione derivatives which bind to cereblon, and methods of use thereof	20191127
WO-2021070132-A1	Bi-aryl dihydroorotate dehydrogenase inhibitors	20191010

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.93026
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.93026
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5