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249645

Sigma-Aldrich

2-Acetyl-3-methylthiophene

98%

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About This Item

Empirical Formula (Hill Notation):
C7H8OS
CAS Number:
13679-72-6
Molecular Weight:
140.20
EC Number:
237-179-1
MDL number:
MFCD00005443
UNSPSC Code:
12352100
PubChem Substance ID:
24855009
NACRES:
NA.22

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

Related Categories

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

199.4 °F - closed cup

Flash Point(C)

93 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

249645-1G:
249645-VAR:
249645-5G:
249645-BULK:

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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