2-Mercaptothiazole

2-Mercaptothiazole Property

Melting point:

80 °C(Solv: water (7732-18-5))

Boiling point:

194.7±23.0 °C(Predicted)

Density 

1.47±0.1 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

8.58±0.20(Predicted)

Appearance

Light brown to brown Solid

InChI

InChI=1S/C3H3NS2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)

InChIKey

OCVLSHAVSIYKLI-UHFFFAOYSA-N

SMILES

S1C=CNC1=S

LogP

1.213 (est)

CAS DataBase Reference

5685-05-2(CAS DataBase Reference)

NIST Chemistry Reference

«delta»4-Thiazoline-2-thione(5685-05-2)

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

2-Mercaptothiazole Chemical Properties,Usage,Production

Uses

2-Mercaptothiazole (Thiazoline-2-thione) is a thiazole compound that can be used as a basic structural unit in organic synthesis and is widely used in the pharmaceutical and chemical areas.

Synthesis

The general procedure for the synthesis of thiazole-2(3H)-thione from chloroacetaldehyde and ammonium dithiocarbamate was as follows: a 40% solution of chloroacetaldehyde (0.61 mol) was slowly added to 100 mL of water, keeping the reaction temperature below 5 °C. Subsequently, 67 g of ammonium dithiocarbamate (0.61 mol) was added in batches. After the addition was completed, the reaction mixture was gradually warmed up to room temperature and stirred continuously for 2 h to promote complete reaction. A white solid precipitated during the reaction and the product was collected by filtration. The resulting filter cake was washed sequentially with a small amount of ethanol and cold water to remove impurities. Finally, the product was dried to give 66.2 g of white solid thiazole-2(3H)-thione in 93% yield.

References

[1] Patent: TWI609015, 2017, B. Location in patent: Paragraph 0190