Methyl 4-Thiazolecarboxylate - CAS 59418-09-6

Name: Methyl 4-Thiazolecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030376
Product Name:	Methyl 4-Thiazolecarboxylate
CAS:	59418-09-6
Synonyms:	4-thiazolecarboxylic acid methyl ester; methyl 1,3-thiazole-4-carboxylate

Technical Data

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Patents

Literatures

Computed Properties

IUPAC Name:	methyl 1,3-thiazole-4-carboxylate
Description:	Methyl 4-Thiazolecarboxylate (CAS# 59418-09-6) is a useful research chemical.
Molecular Weight:	143.16
Molecular Formula:	C5H5NO2S
Canonical SMILES:	COC(=O)C1=CSC=N1
InChI:	InChI=1S/C5H5NO2S/c1-8-5(7)4-2-9-3-6-4/h2-3H,1H3
InChI Key:	KUWWRNNYEYGSBQ-UHFFFAOYSA-N
Boiling Point:	219.8 °C at 760 mmHg
Density:	1.301 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD06410940
LogP:	0.92970

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112094248-A	Substituted benzothiazole compound and application thereof	20200917
US-2021300912-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127302-A1	2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
CN-111349105-A	Benzofuran derivative, preparation method and medical application thereof	20181224
TW-202038943-A	Methods of treating cancer	20181119

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.00409958
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	143.00409958
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1