1-(Thiazol-4-yl)ethanone - CAS 38205-66-2

Name: 1-(Thiazol-4-yl)ethanone
Brand: BOC Sciences
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Catalog:	BB023581
Product Name:	1-(Thiazol-4-yl)ethanone
CAS:	38205-66-2
Synonyms:	1-(4-thiazolyl)ethanone; 1-(1,3-thiazol-4-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(1,3-thiazol-4-yl)ethanone
Description:	1-(Thiazol-4-yl)ethanone (CAS# 38205-66-2) is a useful research chemical.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	CC(=O)C1=CSC=N1
InChI:	InChI=1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
InChI Key:	SUCLFBXGJZQZEH-UHFFFAOYSA-N
Boiling Point:	220.4 °C at 760 mmHg
Density:	1.226 g/cm³
MDL:	MFCD03550493
LogP:	1.34570

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1018168-48-3]C7H9NO4
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
CN-110627610-A	Method for synthesizing alkyne by catalyzing asymmetric cross coupling	20190829
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
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Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.00918496
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.00918496
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1