1-(2-Methylthiazol-4-yl)ethanone - CAS 23002-78-0

Catalog:	BB076915
Product Name:	1-(2-Methylthiazol-4-yl)ethanone
CAS:	23002-78-0
Synonyms:	1-(2-Methylthiazol-4-yl)ethan-1-one; Ethanone, 1-(2-methyl-4-thiazolyl)-; 1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-one; 4-Acetyl-2-methylthiazole; 2-Methyl-4-acetylthiazole; 1-(2-methyl-4-thiazolyl)ethanone

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(2-methyl-1,3-thiazol-4-yl)ethanone
Molecular Weight:	141.19
Molecular Formula:	C6H7NOS
Canonical SMILES:	CC1=NC(=CS1)C(=O)C
InChI:	InChI=1S/C6H7NOS/c1-4(8)6-3-9-5(2)7-6/h3H,1-2H3
InChI Key:	UJIGIKQKDDJTJL-UHFFFAOYSA-N
Boiling Point:	223.4±13.0°C (Predicted)
Melting Point:	56-57°C
Purity:	95%
Density:	1.177±0.06 g/cm3 (Predicted)
Solubility:	Soluble in Methanol
Storage:	Store at 2-8°C

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[3973-08-8]
4-Thiazolecarboxylic acid
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[1072145-33-5]
ERRα antagonist-1
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.02483502
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.02483502
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4