Tetrahydrothiophen-3-one is an endogenously produced metabolite.

Physicochemical Properties

Molecular Formula	C₄H₆OS
Molecular Weight	102.15
Exact Mass	102.013
CAS #	1003-04-9
PubChem CID	61252
Appearance	Colorless to light yellow liquid
Density	1.2±0.1 g/cm3
Boiling Point	175.2±23.0 °C at 760 mmHg
Flash Point	77.2±0.0 °C
Vapour Pressure	1.2±0.3 mmHg at 25°C
Index of Refraction	1.544
LogP	-0.29
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Complexity	69.9
Defined Atom Stereocenter Count	0
SMILES	S1C([H])([H])C(C([H])([H])C1([H])[H])=O
InChi Key	DSXFPRKPFJRPIB-UHFFFAOYSA-N
InChi Code	InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
Chemical Name	thiolan-3-one
Synonyms	Tetrahydrothiophen3one; Tetrahydrothiophen 3 one
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

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~978.95 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (24.47 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 (24.47 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 (24.47 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	9.7895 mL	48.9476 mL	97.8953 mL
	5 mM	1.9579 mL	9.7895 mL	19.5791 mL
	10 mM	0.9790 mL	4.8948 mL	9.7895 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.