2-Ethyl-4-methylthiazole - CAS 15679-12-6

Catalog:	BB011264
Product Name:	2-Ethyl-4-methylthiazole
CAS:	15679-12-6
Synonyms:	2-ethyl-4-methyl-1,3-thiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-ethyl-4-methyl-1,3-thiazole
Description:	2-Ethyl-4-methylthiazole (CAS# 15679-12-6) is a useful research chemical.
Molecular Weight:	127.21
Molecular Formula:	C6H9NS
Canonical SMILES:	CCC1=NC(=CS1)C
InChI:	InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
InChI Key:	VGRVKVGGUPOCMT-UHFFFAOYSA-N
Boiling Point:	189.97 °C (EPI 4.0)
Purity:	98.0 %
Density:	1.025 g/cm³
Solubility:	Insol in water; sol in ethanol, PG & TA.
Appearance:	Colorless to light yellow
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
MDL:	MFCD00036621
LogP:	2.01390
Refractive Index:	1.501 : 1.511 at 20 deg C

Publication Number	Title	Priority Date
WO-2021062327-A1	Fused pyrimidine compounds, compositions and medicinal applications thereof	20190927
RU-2717104-C1	Method of producing alkyl- and acyl-substituted thiazoles	20190626
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
CN-109813797-A	The rapid detection method of sulphur compound in a kind of cigarette mainstream flue gas	20190413
CN-109932414-A	The rapid detection method of sulphur compound in a kind of cigarette side-stream smoke	20190413

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Related Functional Groups

Oxazole/Thiazole

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GHS Hazard Statement:	H302 (97.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.04557046
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.04557046
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2