Ethyl 5-Bromothiazole-2-carboxylate - CAS 1202237-88-4

Name: Ethyl 5-Bromothiazole-2-carboxylate
Brand: BOC Sciences
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Catalog:	BB004757
Product Name:	Ethyl 5-Bromothiazole-2-carboxylate
CAS:	1202237-88-4
Synonyms:	5-bromo-2-thiazolecarboxylic acid ethyl ester; ethyl 5-bromo-1,3-thiazole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-bromo-1,3-thiazole-2-carboxylate
Description:	Ethyl 5-Bromothiazole-2-carboxylate (CAS# 1202237-88-4) is a useful research chemical.
Molecular Weight:	236.09
Molecular Formula:	C6H6BrNO2S
Canonical SMILES:	CCOC(=O)C1=NC=C(S1)Br
InChI:	InChI=1S/C6H6BrNO2S/c1-2-10-6(9)5-8-3-4(7)11-5/h3H,2H2,1H3
InChI Key:	KSXFDPQRVVZYQJ-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.08230

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic 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

Publication Number	Title	Priority Date
WO-2018130124-A1	Tricyclic compound as selective estrogen receptor down-regulator and use thereof	20170111
AU-2017327539-A1	Heteroaryl carboxamide compounds as inhibitors of RIPK2	20160915
CA-3037141-A1	Heteroaryl carboxamide compounds as inhibitors of ripk2	20160915
EP-3512833-A1	Heteroaryl carboxamide compounds as inhibitors of ripk2	20160915
JP-2019529407-A	Heteroarylcarboxamide compounds as inhibitors of RIPK2	20160915

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