3-Acetylthiophene is a biochemical compound that may be utilized as a biomaterial or organic/chemical reagent for biomedical research.

Physicochemical Properties

Molecular Formula	C6H6OS
Molecular Weight	126.18
Exact Mass	126.013
CAS #	1468-83-3
PubChem CID	15116
Appearance	White to yellow solid powder
Density	1.1±0.1 g/cm3
Boiling Point	190.5±13.0 °C at 760 mmHg
Melting Point	57-62 °C(lit.)
Flash Point	69.0±19.8 °C
Vapour Pressure	0.5±0.4 mmHg at 25°C
Index of Refraction	1.540
LogP	1.44
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Complexity	101
Defined Atom Stereocenter Count	0
SMILES	CC(=O)C1=CSC=C1
InChi Key	RNIDWJDZNNVFDY-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
Chemical Name	1-thiophen-3-ylethanone
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Additional Infomation

3-Acetylthiophene is an aromatic ketone. 3-Acetylthiophene has been reported in Coffea arabica with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (792.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (19.81 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (19.81 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (19.81 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	7.9252 mL	39.6259 mL	79.2519 mL
	5 mM	1.5850 mL	7.9252 mL	15.8504 mL
	10 mM	0.7925 mL	3.9626 mL	7.9252 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.