Thioisonicotinamide (4-Pyridylthioamide) can be used as a synthetic intermediate in the preparation /synthesis of active molecules.

Physicochemical Properties

Molecular Formula	C6H6N2S
Molecular Weight	138.19
Exact Mass	138.025
CAS #	2196-13-6
PubChem CID	2723788
Appearance	Typically exists as solid at room temperature
Density	1.3±0.1 g/cm3
Boiling Point	278.9±32.0 °C at 760 mmHg
Melting Point	201 °C
Flash Point	122.5±25.1 °C
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.664
LogP	0.23
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Complexity	108
Defined Atom Stereocenter Count	0
SMILES	S=C(C1C([H])=C([H])N=C([H])C=1[H])N([H])[H]
InChi Key	KPIIGXWUNXGGCP-UHFFFAOYSA-N
InChi Code	InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
Chemical Name	pyridine-4-carbothioamide
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

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (723.64 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.09 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	7.2364 mL	36.1821 mL	72.3641 mL
	5 mM	1.4473 mL	7.2364 mL	14.4728 mL
	10 mM	0.7236 mL	3.6182 mL	7.2364 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.