5-Methoxy-2-benzimidazolethiol is a benzimidazole. The iodometric determination of 5-Methoxy-2-benzimidazolethiol in alkaline medium was studied.

Physicochemical Properties

Molecular Formula	C8H8N2OS
Molecular Weight	180.23
Exact Mass	180.035
CAS #	37052-78-1
Related CAS #	5-Methoxy-2-benzimidazolethiol-d3;1219804-80-4
PubChem CID	665603
Appearance	White to light yellow solid powder
Density	1.4±0.1 g/cm3
Boiling Point	309.4±44.0 °C at 760 mmHg
Melting Point	261-263 °C(lit.)
Flash Point	140.9±28.4 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.695
LogP	1.92
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Complexity	198
Defined Atom Stereocenter Count	0
InChi Key	KOFBRZWVWJCLGM-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
Chemical Name	5-methoxy-1,3-dihydrobenzimidazole-2-thione
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
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

References

[1]. Iodimetric Determination of 2-Benzimidazolethiols and 2-Benzothiazolethiols. Chem. Anal. (Warsaw), 49, 577 (2004).

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (554.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (13.87 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 (13.87 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 (13.87 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	5.5485 mL	27.7423 mL	55.4847 mL
	5 mM	1.1097 mL	5.5485 mL	11.0969 mL
	10 mM	0.5548 mL	2.7742 mL	5.5485 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.