H2S Donor 5a is a cysteine-activated H2S donor. H2S plays important roles in biological systems. H2S Donor 5a is a useful tool in H2S research.

Physicochemical Properties

Molecular Formula	C14H11NO2S
Molecular Weight	257.307642221451
Exact Mass	257.051
CAS #	134861-13-5
PubChem CID	14952493
Appearance	White to off-white solid powder
LogP	3.295
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Complexity	294
Defined Atom Stereocenter Count	0
InChi Key	IJYATHJDICJZLJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H11NO2S/c16-13(11-7-3-1-4-8-11)15-18-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16)
Chemical Name	S-benzamido benzenecarbothioate
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]. Cysteine-activated hydrogen sulfide (H2S) donors. J Am Chem Soc. 2011;133(1):15-17.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~388.64 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.72 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	3.8864 mL	19.4318 mL	38.8636 mL
	5 mM	0.7773 mL	3.8864 mL	7.7727 mL
	10 mM	0.3886 mL	1.9432 mL	3.8864 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.