2-Aminothiazole
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2-Aminothiazole
structure -
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CAS No:
96-50-4
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Formula:
C3H4N2S
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Chemical Name:
2-Aminothiazole
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Synonyms:
2-Thiazolamine;Thiazole,2-amino-;4-Thiazoline,2-imino-;Abadol;Abadole;Aminothiazole;2-Aminothiazole;Basedol;2-Thiazolylamine;2-Amino-1,3-thiazole;NSC 1900;1,3-Thiazol-2-amine;5654-01-3;58473-79-3
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CAS No:
Description
Aminothiazole (2-Aminothiazole) is a beginning point for synthesis of many compounds including sulfur drugs, biocides, fungicides, dyes and chemical reaction accelerators.IC50 value:Target:2-Aminothiazole can be used as a thyroid inhibitor in the treatment of hyperthyroidism and it has antibacterial activity. Also used as the acid tartrate. Recent studies using prion-infected neuroblastoma cell lines have suggested that aminothiazole may be used as a therapeutic drug for prion diseases.
2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)
2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)|1,3-thiazol-2-amine is a primary amino compound that is 1,3-thiazole substituted by an amino group at position 2. It is a member of 1,3-thiazoles and a primary amino compound.
2-Aminothiazole Basic Attributes
100.14
100.14
105738
202-511-6
5K8WKN668K
758210|1900
DTXSID5024508
29341000
Characteristics
67.2
0.4
Brown Crystalline Powder, Grains, Lumps or Flakes
1.3±0.1 g/cm3
93 °C
140 °C @ Press: 12 Torr
117°C/15mm
1.645
H2O: 100 g/L (20 ºC);1 M HCl: soluble 50mg/mL, clear (dark yellow-brown)
Hormones
<1 hPa (20 °C)
Oral-rat LD50: 480 mg/kg; Abdominal cavity-mouse LD50: 200 mg/kg
Flammable; high temperature produces toxic nitrogen oxide and sulfur oxide fumes
117.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Insoluble in water.
Amines, Phosphines, and Pyridines
2-AMINOTHIAZOLE reacts violently when nitrated with nitric or nitric-sulfuric acids. It is also incompatible with strong oxidizing agents, strong acids, acid chlorides and acid anhydrides. (NTP, 1992)
212 °F after 3.5 hours (NTP, 1992)
Safety Information
I; II; III
2811
3
22-36-36/37-20/21/22
26-36/37-39-36
XJ2100000
Xn,Xi
Treasury is ventilated and dried at low temperature; stored separately from nitric acid and sulfuric acid
Irritant
Its nitric acid mixture; or its nitric acid-sulfuric acid mixture explodes upon heating
Stable under normal temperatures and pressures.
P301 + P312 + P330
H302
Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 62 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures and away from mineral acids and bases. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
SYMPTOMS: Symptoms of exposure to this compound may include nausea, headache and weakness. It may also cause irritation. ACUTE/CHRONIC HAZARDS: This compound may be harmful by ingestion, inhalation or skin absorption. It may cause irritation. When heated to decomposition, it may emit toxic fumes of carbon monoxide, carbon dioxide, NOx and SOx. (NTP, 1992)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
2-aminothiazole
2-Aminothiazole Use and Manufacturing
From thiourea and chloroacetaldehyde (or ethanol and chlorine gas, or α, β dichloroethyl ether) by cyclization. Add hot water, thiourea and α, β-dichloroethyl ether to the reactor. Reflux under stirring for 2h. After cooling, sodium hydroxide solution was added through a dropping funnel to make the solution alkaline, and 2-aminothiazole crystals were precipitated. Then add diethyl ether to dissolve. The ether layer was separated, washed with water, dried over anhydrous sodium sulfate, and the ether was distilled off to obtain a crude product. Recrystallized with ethanol to obtain yellow crystals. The yield is 80% and the melting point is 90°C.
Usually used in the synthesis of 2-aminothiazole-modified silica gel,and aslo used in Ulmann coupling with 2-chlorobenzoic acids mediated by ultrasonic irradiation.
2-Thiazolamine: ACTIVE
Computed Properties
Molecular Weight:100.14
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:100.00951931
Monoisotopic Mass:100.00951931
Topological Polar Surface Area:67.2
Heavy Atom Count:6
Complexity:48.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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