Allylthiourea
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Allylthiourea
structure -
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CAS No:
109-57-9
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Formula:
C4H8N2S
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Chemical Name:
Allylthiourea
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Synonyms:
Thiourea,N-2-propen-1-yl-;Urea,1-allyl-2-thio-;Thiourea,2-propenyl-;N-2-Propen-1-ylthiourea;Allylthiourea;Aminosin;Rhodalline;Thiosinamine;1-Allyl-2-thiourea;U 19571;N-Allylthiourea;Allylthiocarbamide;1-Allylthiourea;Thiosinamin;Rhodallin;2-Propenylthiourea;NSC 1915;(Prop-2-en-1-yl)thiourea
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CAS No:
Description
white crystals or powderChEBI: A thiourea with a prop-2-enyl group attached to one of the amines.White crystalline solid with a slight garlic odor.
Allylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)|Liquid
Allylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)|Allylthiourea is a thiourea with a prop-2-enyl group attached to one of the amines. It has a role as a metabolite. It derives from a thiourea.
Allylthiourea Basic Attributes
116.18
116.18
1071470
203-683-5
706IDJ14B7
760355|1915
2811
DTXSID3024449
29309070
Characteristics
70.1
0.2
White to light beige Powder, Crystals, Granules or Chunks
1.11 to 1.22 (NTP, 1992)
78 °C
191.3±33.0 °C(Predicted)
69.5±25.4 °C
1.5936 (estimate)
H2O: 67 g/L (20 ºC)
Store below +30°C.
Oral-rat LD50: 100 mg/kg; Celiac-ratLD50: 500 mg/kg
Flammable; burning produces toxic nitrogen oxides and sulfur oxide fumes
Soluble in water.
Amides and Imides
ALLYLTHIOUREA may react vigorously with strong oxidizing agents. Can react exothermically with reducing agents (such as alkali metals and hydrides) to release gaseous hydrogen. May react exothermically with both acids and bases. May generate flammable gases in combination with aldehydes, nitrides, and hydrides. Incompatible with peroxides and acid halides.
Safety Information
III
6.1
UN 2811 6.1/PG 3
2
25
45-24/25
YR8050000
T
Treasury is ventilated, low temperature and dry; stored separately from food materials
Stable. Incompatible with strong oxidizing agents.
P301 + P310
H301
Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
|Danger|H301 (99.48%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 193 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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 material in a refrigerator. (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: Contact eczema due to sensitization in humans has been reported. (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)
allylthiourea
Allylthiourea Use and Manufacturing
It is heated and melted by propylene chloride and sodium thiocyanide. After cooling, a small amount of potassium iodide is added, followed by adding propylene chloride and ethanol, refluxing for 16 h, cooling to separate the oil layer, washing with water 3 to 4 times, to obtain allyl isothiocyanate, use Anhydrous calcium chloride is dried and distilled, and the fraction with a boiling point of 140-155 ℃ is collected. Then it was added to ammonia water, heated to about 80 ℃ under stirring, a strong reaction occurred, the crystal was precipitated by cooling, filtered, dried to obtain a crude product, and then recrystallized from ethanol to obtain a finished product.
chelating agent
Solids separation agents
All other basic organic chemical manufacturing|Thiourea, N-2-propen-1-yl-: ACTIVE
Computed Properties
Molecular Weight:116.19
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:116.04081944
Monoisotopic Mass:116.04081944
Topological Polar Surface Area:70.1
Heavy Atom Count:7
Complexity:79.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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