CAS 13679-72-6|2-Acetyl-3-methylthiophene

Introduction：Basic information about CAS 13679-72-6|2-Acetyl-3-methylthiophene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles2
6. Synonyms

Common Name	2-Acetyl-3-methylthiophene
CAS Number	13679-72-6	Molecular Weight	140.20300
Density	1.124 g/mL at 25 °C(lit.)	Boiling Point	98-99 °C14 mm Hg(lit.)
Molecular Formula	C₇H₈OS	Melting Point	/
MSDS	ChineseUSA	Flash Point	199 °F

Names

Name	2-Acetyl-3-methylthiophene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.124 g/mL at 25 °C(lit.)
Boiling Point	98-99 °C14 mm Hg(lit.)
Molecular Formula	C₇H₈OS
Molecular Weight	140.20300
Flash Point	199 °F
Exact Mass	140.03000
PSA	45.31000
LogP	2.25910
Vapour Pressure	0.152mmHg at 25°C
Index of Refraction	n20/D 1.562(lit.)
InChIKey	YBJDKNXEWQSGEL-UHFFFAOYSA-N
SMILES	CC(=O)c1sccc1C

Safety Information

Hazard Codes	Xi: Irritant;
Risk Phrases	R20/21/22
Safety Phrases	S36/37
RIDADR	PG 3
WGK Germany	3
Packaging Group	III
HS Code	2934999090

Customs

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles2

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

Eur. J. Med. Chem. 46(10) , 5138-45, (2011)

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...

Automated parallel synthesis of chalcone-based screening libraries. Powers DG, et al.

Tetrahedron 54(16) , 4085-96, (1998)

Synonyms

1-(3-Methylthiophen-2-yl)ethanone

EINECS 237-179-1

MFCD00005443

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