2-Acetyl-5-methylthiophene - CAS 13679-74-8

Catalog:	BB008418
Product Name:	2-Acetyl-5-methylthiophene
CAS:	13679-74-8
Synonyms:	1-(5-methylthiophen-2-yl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(5-methylthiophen-2-yl)ethanone
Description:	2-Acetyl-5-methylthiophene (CAS# 13679-74-8) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	140.20
Molecular Formula:	C7H8OS
Canonical SMILES:	CC1=CC=C(S1)C(=O)C
InChI:	InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChI Key:	YOSDTJYMDAEEAZ-UHFFFAOYSA-N
Boiling Point:	65-67 °C (1 mmHg)
Melting Point:	24-28 °C
Purity:	98 %
Density:	1.106 g/cm³
Solubility:	1510 mg/L at 25 °C (est)
Appearance:	Solid
MDL:	MFCD00014529
LogP:	2.25910

Publication Number	Title	Priority Date
EP-3556755-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
WO-2019149260-A1	Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof	20180202
US-2020157070-A1	Cyclic sulfamide compounds and methods of using same	20170302
EP-3554275-A1	Modifying or enhancing a flavor of food and beverage products	20161213
US-2019313680-A1	Modifying or enhancing a flavor of food and beverage products	20161213

PMID	Publication Date	Title	Journal
19924760	20091201	Investigation of trypanothione reductase as a drug target in Trypanosoma brucei	ChemMedChem

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Thiophenes

[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate

GHS Hazard Statement:	H302 (88.89%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02958605
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2