4-Methyl-2-thiazolecarboxaldehyde - CAS 13750-68-0

Catalog:	BB008612
Product Name:	4-Methyl-2-thiazolecarboxaldehyde
CAS:	13750-68-0
Synonyms:	4-methyl-1,3-thiazole-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methyl-1,3-thiazole-2-carbaldehyde
Description:	4-Methyl-2-thiazolecarboxaldehyde (CAS# 13750-68-0) is used to prepare selective cyclooxygenase-2 inhibitors. Thiazole containing compounds demonstrated excellent oral activity.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	CC1=CSC(=N1)C=O
InChI:	InChI=1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
InChI Key:	NYMCQLLAIMUVSY-UHFFFAOYSA-N
Boiling Point:	236 °C at 760 mmHg
Purity:	95 %
Density:	1.183 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00022450
LogP:	1.26400

Publication Number	Title	Priority Date
CN-113149894-A	(E) Pharmaceutical use of (E) -3-arylheterocyclylprop-2-enoic acid derivatives	20200622
WO-2021106230-A1	Novel phenol compound or salt thereof	20191129
EP-3816152-A1	Specific materials used for the detection of at least one alkaline element	20191029
US-2021122837-A1	Specific materials that can be used for the detection of at least one alkaline element	20191029
CN-109851570-A	A kind of chalcone derivative, preparation method and the application of the triazine containing 1,2,4-	20190202

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

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