Ethyl 2-Methylthiazole-5-carboxylate - CAS 79836-78-5

Catalog:	BB036415
Product Name:	Ethyl 2-Methylthiazole-5-carboxylate
CAS:	79836-78-5
Synonyms:	2-methyl-5-thiazolecarboxylic acid ethyl ester; ethyl 2-methyl-1,3-thiazole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-methyl-1,3-thiazole-5-carboxylate
Description:	Ethyl 2-Methylthiazole-5-carboxylate (CAS# 79836-78-5) is a useful research chemical.
Molecular Weight:	171.22
Molecular Formula:	C7H9NO2S
Canonical SMILES:	CCOC(=O)C1=CN=C(S1)C
InChI:	InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/h4H,3H2,1-2H3
InChI Key:	ORCQTMZHDQSNOJ-UHFFFAOYSA-N
Boiling Point:	242.127 °C at 760 mmHg
Density:	1.199 g/cm³
MDL:	MFCD03840442
LogP:	1.62820

Publication Number	Title	Priority Date
WO-2021083182-A1	Uricosuric agent, synthetic method therefor, and pharmaceutical application thereof	20191028
AU-2018227811-A1	Cyclic sulfamide compounds and methods of using same	20170302
CA-3055194-A1	Cyclic sulfamide compounds and methods of using same	20170302
CN-110621672-A	Cyclic sulfonamide compounds and methods of use thereof	20170302
EP-3589630-A1	Cyclic sulfamide compounds and methods of using same	20170302

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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

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0353997
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.0353997
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9