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 °C 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

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

Oxazole/Thiazole

[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[3973-08-8]
4-Thiazolecarboxylic acid
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[24043-97-8]
Ethyl 2-(2-thienyl)thiazole-4-carboxylate
[22900-85-2]
Ethyl 2-(isopropylamino)-4-methylthiazole-5-carboxylate
[937597-96-1]
Ethyl 2-(phenylamino)-4-(trifluoromethyl)thiazole-5-carboxylate

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