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About This Item
Empirical Formula (Hill Notation):
C7H8OS
CAS Number:
Molecular Weight:
140.20
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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.)
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
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_germany
WGK 3
flash_point_f
199.4 °F - closed cup
flash_point_c
93 °C - closed cup
Certificates of Analysis (COA)
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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)
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