Thiazole-4-carboxaldehyde - CAS 3364-80-5

Name: Thiazole-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021811
Product Name:	Thiazole-4-carboxaldehyde
CAS:	3364-80-5
Synonyms:	4-thiazolecarboxaldehyde; 1,3-thiazole-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	1,3-thiazole-4-carbaldehyde
Description:	Thiazole-4-carboxaldehyde (CAS# 3364-80-5) is a useful research chemical.
Molecular Weight:	113.14
Molecular Formula:	C4H3NOS
Canonical SMILES:	C1=C(N=CS1)C=O
InChI:	InChI=1S/C4H3NOS/c6-1-4-2-7-3-5-4/h1-3H
InChI Key:	WRFKSVINLIQRKF-UHFFFAOYSA-N
Boiling Point:	222.4 °C at 760 mmHg
Density:	1.35 g/cm³
Appearance:	White to light yellow or light brown powder
MDL:	MFCD00626896
LogP:	0.95560

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[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

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GHS Hazard Statement:	H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021032934-A1	Enzyme inhibitors	20190821
US-2020392550-A1	Reagents and methods for replication, transcription, and translation in semi-synthetic organisms	20190614
WO-2020252262-A1	Reagents and methods for replication, transcription, and translation in semi-synthetic organisms	20190614
WO-2020240178-A1	Catalysts	20190528
WO-2020221824-A1	Novel indolizine-2-carboxamides active against the hepatitis b virus (hbv)	20190430

PMID	Publication Date	Title	Journal
22109274	20111113	Dynamic multi-component covalent assembly for the reversible binding of secondary alcohols and chirality sensing	Nature chemistry
17381079	20070419	Design, synthesis, and evaluation of inhibitors for severe acute respiratory syndrome 3C-like protease based on phthalhydrazide ketones or heteroaromatic esters	Journal of medicinal chemistry
14505655	20031020	A catch-and-release strategy for the combinatorial synthesis of 4-acylamino-1,3-thiazoles as potential CDK5 inhibitors	Bioorganic & medicinal chemistry letters

Complexity:	76.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.99353489
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.99353489
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7