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249645

2-Acetyl-3-methylthiophene

Name: 2-Acetyl-3-methylthiophene
Brand: ALDRICH

98%

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About This Item

Empirical Formula (Hill Notation):

C₇H₈OS

CAS Number:

13679-72-6

Molecular Weight:

140.20

NACRES:

NA.22

PubChem Substance ID:

24855009

UNSPSC Code:

12352100

EC Number:

237-179-1

MDL number:

MFCD00005443

Assay:

98%

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Properties

Quality Level

100

assay

98%

refractive index

n20/D 1.562 (lit.)

bp

98-99 °C/14 mmHg (lit.)

density

1.124 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CC(=O)c1sccc1C

InChI

1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3

InChI key

YBJDKNXEWQSGEL-UHFFFAOYSA-N

Description

Application

2-Acetyl-3-methylthiophene has been used in:

automated parallel synthesis of combinatorial arrays of individual chalcone derivatives
synthesis of 2-hydroxy-4-(3-methylthiophen-2-yl)-4-oxobut-2-enoic acid

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

199.4 °F - closed cup

flash_point_c

93 °C - closed cup

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Synthesis and SAR optimization of diketo acid pharmacophore for HCV NS5B polymerase inhibition.

Aaditya Bhatt et al.

European journal of medicinal chemistry, 46(10), 5138-5145 (2011-09-07)

Hepatitis C virus (HCV) NS5B polymerase is a key target for anti-HCV therapeutics development. Here we report the synthesis and biological evaluation of a new series of α,γ-diketo acids (DKAs) as NS5B polymerase inhibitors. We initiated structure-activity relationship (SAR) optimization

Automated parallel synthesis of chalcone-based screening libraries.

Powers DG, et al.

Tetrahedron, 54(16), 4085-4096 (1998)

Global Trade Item Number

SKU	GTIN
249645-5G	04061837836718