2-Ethyl-4,5-dimethylthiazole - CAS 873-64-3

Catalog:	BB038404
Product Name:	2-Ethyl-4,5-dimethylthiazole
CAS:	873-64-3
Synonyms:	Thiazole, 2-ethyl-4,5-dimethyl-; 4,5-Dimethyl-2-ethylthiazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-ethyl-4,5-dimethyl-1,3-thiazole
Molecular Weight:	141.23
Molecular Formula:	C7H11NS
Canonical SMILES:	CCC1=NC(=C(S1)C)C
InChI:	InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
InChI Key:	BVOKJOZBJOWZNJ-UHFFFAOYSA-N
Boiling Point:	63-64°C
Purity:	95%
Density:	1.027±0.06 g/cm3
Appearance:	Colorless to Light Yellow Liquid
Storage:	Store at 2-8°C
MDL:	MFCD00053125
LogP:	2.32230

Publication Number	Title	Priority Date
CN-113045993-A	Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof	20210325
WO-2020232255-A1	Compounds for the treatment of neurodegenerative and metabolic disorders	20190514
CN-109321939-A	The electrochemical method for synthesizing of thiazole compound	20181015
CN-109321939-B	Electrochemical synthesis method of thiazole compound	20181015
WO-2019148851-A1	Five-membered ring-substituted pyridazinol compound and derivatives thereof, preparation method, herbicidal composition, and application	20180202

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GHS Hazard Statement:	H302 (98.88%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.06122053
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.06122053
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6