Basic information
- Name:
2-Mercaptothiazoline
- CAS No.:
96-53-7
- Molecular Structure:
- Formula:
- C3H5NS2
- Molecular Weight:
- 119.20
- Deleted CAS:
- 29964-20-3|1437-88-3
- Synonyms:
- 1,3-Thiazolidin-2-thione;1,3-Thiazolidine-2-thione;2-Mercapto-2-thiazoline;2-Mercapto-4,5-dihydrothiazole;2-Mercapto-D2-thiazoline;2-Thiazolidinethione;2-Thiazoline-2-thiol;2-Thiothiazolidone;4,5-Dihydro-2-mercaptothiazole;4,5-Dihydrothiazole-2-thiol;Mercaptothiazoline;Metabasal;NSC 680;Sancelent2MT;Tetrahydrothiazole-2-thione;Thyroidan;WR 305;D2-Thiazoline-2-thiol;
- EINECS:
- 202-512-1
- Density:
- 1.38 g/cm3
- Melting Point:
- 100-105 °C(lit.)
- Boiling Point:
- 188.9 °C at 760 mmHg
- Flash Point:
- 68.1 °C
- Solubility:
- soluble in hot water
- Appearance:
- white to beige fine crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 22
- Safety Description:
- 24/25 Details
- Transport Information:
- UN 2811 6.1/PG 3
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Chemistry
IUPAC:1,3-Thiazolidine-2-thione
Empirical Formula: C3H5NS2
Molecular Weight: 119.2085 g/mol
EINECS:202-512-1
Index of Refraction: 1.681
Density: 1.38 g/cm3
Flash Point: 68.1 °C
Melting point: 100-105 °C(lit.)
Solubility: Soluble in water
Enthalpy of Vaporization: 42.51 kJ/mol
Boiling Point: 188.9 °C at 760 mmHg
Vapour Pressure: 0.585 mmHg at 25 °C
Appearance: White to beige fine crystalline powder
Structure of 2-Mercaptothiazoline (CAS NO.96-53-7):
Product Category of 2-Mercaptothiazoline (CAS NO.96-53-7): API intermediates
Uses
2-Mercaptothiazoline (CAS NO.96-53-7) is used as pharmaceutical intermediate. Cysteamine obtained by the hydrolysis of the product, is intermediate of a H2 receptor antagonist cimetidine, and ranitidine.
Production
First, Ethanolamine with sulfuric acid for esterification, and then wisth Carbon disulfideunder the action of Sodium hydroxide for cyclization to get the product.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Radiation Research. Vol. 7, Pg. 22, 1957. | |
| mouse | LDLo | oral | 710mg/kg (710mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. | |
| rat | LD50 | oral | 300mg/kg (300mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947. | |
| rat | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 478, 1949. |
2-Mercaptothiazoline (CAS NO.96-53-7) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS.
Hazard Codes:Xn
Risk Statements:22
R22:Harmful if swallowed.
Safety Statements:24/25
S24/25:Avoid contact with skin and eyes.
Specification
2-Mercaptothiazoline , its cas register number is 96-53-7. It also can be called 2-Thiazoline-2-thiol ; 2-Thiothiazolidone ; and Tetrahydrothiazole-2-thione . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, 2-Mercaptothiazoline (CAS NO.96-53-7) is not compatible with strong oxidizing agents, strong bases, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
