2-Bromothiazole-4-carboxaldehyde - CAS 5198-80-1

Catalog:	BB027673
Product Name:	2-Bromothiazole-4-carboxaldehyde
CAS:	5198-80-1
Synonyms:	2-bromo-1,3-thiazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1,3-thiazole-4-carbaldehyde
Description:	2-Bromothiazole-4-carboxaldehyde (CAS# 5198-80-1) is a useful research chemical.
Molecular Weight:	192.03
Molecular Formula:	C4H2BrNOS
Canonical SMILES:	C1=C(N=C(S1)Br)C=O
InChI:	InChI=1S/C4H2BrNOS/c5-4-6-3(1-7)2-8-4/h1-2H
InChI Key:	MNQVIZWWCRPZOK-UHFFFAOYSA-N
Boiling Point:	288.1 ℃ at 760 mmHg
Purity:	98 %
Density:	1.92 g/cm³
Appearance:	White to faint yellow to yellow or faint brown to brown powder or crystals
MDL:	MFCD04115726
LogP:	1.71810

Publication Number	Title	Priority Date
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	20200110
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
WO-2021072156-A1	Oral complement factor d inhibitors	20191009
WO-2020102574-A1	The compounds and compositions for treating conditions associated with nlrp activity	20181116
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Oxazole/Thiazole

[16188-30-0]
4-Thiazolemethanamine
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[937598-26-0]
Ethyl 2-(butylamino)-4-(chloromethyl)-1,3-thiazole-5-carboxylate
[886497-64-9]
Ethyl 2-(butylamino)-4-methylthiazole-5-carboxylate
[1431962-17-2]
Ethyl 2-(cyclopentylamino)-4-methylthiazole-5-carboxylate hydrochloride

GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501
Signal Word:	Danger

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.90405
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.90405
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8