2-Methylthiazole-4-carboxaldehyde - CAS 20949-84-2

Name: 2-Methylthiazole-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB016452
Product Name:	2-Methylthiazole-4-carboxaldehyde
CAS:	20949-84-2
Synonyms:	2-methyl-1,3-thiazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-1,3-thiazole-4-carbaldehyde
Description:	2-Methylthiazole-4-carboxaldehyde (CAS# 20949-84-2) is a useful research chemical.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	CC1=NC(=CS1)C=O
InChI:	InChI=1S/C5H5NOS/c1-4-6-5(2-7)3-8-4/h2-3H,1H3
InChI Key:	AEHWVNPVEUVPMT-UHFFFAOYSA-N
Boiling Point:	219 °C at 760 mmHg
Purity:	96 %
Density:	1.27 g/cm³
Appearance:	White to yellow and white to orange powder or crystals
MDL:	MFCD06655197
LogP:	1.26400

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021062318-A1	Thiazole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926
WO-2021007350-A1	Bcat modulation	20190709
CN-110872297-A	Aminopyrimidine five-membered heterocyclic compound, intermediate thereof, preparation method, pharmaceutical composition and application	20180904
WO-2020048347-A1	Aminopyrimido five-membered heterocyclic compound, and intermediate thereof, preparation method therefor, pharmaceutical composition thereof and application thereof	20180904
TW-202024092-A	Aminopyrimidine fused five-membered heterocyclic compound, intermediate thereof, and manufacturing method, pharmaceutical composition and application thereof	20180904

Complexity:	96.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.00918496
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.00918496
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1