Allylthiourea

Allylthiourea Basic information
Product Name:Allylthiourea
Synonyms:PROPENYLTHIOUREA;N-ALLYLTHIOUREA;N-(2-PROPENYL)THIOUREA;THIOSINAMINE;RHODALLINE;LABOTEST-BB LT00025093;1-ALLYL-2-THIOUREA;AMINOSIN
CAS:109-57-9
MF:C4H8N2S
MW:116.18
EINECS:203-683-5
Product Categories:Industrial/Fine Chemicals
Mol File:109-57-9.mol
Allylthiourea Structure
Allylthiourea Chemical Properties
Melting point 70-72 °C(lit.)
Boiling point 191.3±33.0 °C(Predicted)
density 1.11 g/mL at 25 °C(lit.)
refractive index 1.5936 (estimate)
storage temp. Store below +30°C.
solubility H2O: soluble30 parts
pka14.57±0.70(Predicted)
form Powder, Crystals, Granules or Chunks
color White to light beige
Specific Gravity1.111.219 (20/20℃)
Water Solubility 67 g/L (20 ºC)
Merck 14,9362
BRN 1071470
Stability:Stable. Incompatible with strong oxidizing agents.
InChIKeyHTKFORQRBXIQHD-UHFFFAOYSA-N
CAS DataBase Reference109-57-9(CAS DataBase Reference)
NIST Chemistry ReferenceAllylthiourea(109-57-9)
EPA Substance Registry SystemAllylthiourea (109-57-9)
Safety Information
Hazard Codes T
Risk Statements 25
Safety Statements 45-24/25
RIDADR UN 2811 6.1/PG 3
WGK Germany 2
RTECS YR8050000
TSCA Yes
HazardClass 6.1
PackingGroup III
HS Code 29309070
ToxicityLD50 orally in rats: 200 mg/kg (Dieke)
MSDS Information
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Allylthiourea English
ACROS English
SigmaAldrich English
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Allylthiourea Usage And Synthesis
Chemical Propertieswhite crystals or powder
UsesN-Allylthiourea is a nitrification inhibitor used in the study on the transformation of diclofenac, naproxen and bisoprolol under aerobic and anaerobic conditions. It is also used in medicine to minimize scar tissue in order to fight against a type of dermatitis. Further, it inhibits the growth of transplanted tumors in mice. It acts as a chelating agent. In addition, it is used in cosmetics, preservative and in organic synthesis.
DefinitionChEBI: A thiourea with a prop-2-enyl group attached to one of the amines.
General DescriptionWhite crystalline solid with a slight garlic odor.
Air & Water ReactionsSoluble in water.
Reactivity ProfileAllylthiourea 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.
Health HazardSYMPTOMS: Contact eczema due to sensitization in humans has been reported.
Fire HazardFlash point data are not available for Allylthiourea, but Allylthiourea is probably combustible.
Biochem/physiol ActionsN-Allylthiourea inhibits the growth of transplanted tumours in mice.
Purification MethodsRecrystallise it from H2O. It is soluble in 30 parts of cold H2O, and it is soluble in EtOH but insoluble in *C6H6. It has also been recrystallised from acetone, EtOH or ethyl acetate, after decolorising with charcoal. The white crystals have a bitter taste with a slight garlic odour and are TOXIC. An unstable crystalline form is obtained by recrystallising from the melt. [McCrone et al. Anal Chem 21 421 1949, Beilstein 4 IV 1072.]
Sodium allylsulfonate Allylthiourea 2-Mercapto-4-hydroxy-5,6-diaminopyrimidine Allyl glycidyl ether 5-METHYL-2-THIOURIDINE N-ALLYL-N'-CYCLOPENTYLTHIOUREA N,N'-DIALLYLTHIOUREA 4-Hydroxy-5-methyl-2-mercaptopyrimidine 1-PHENYL-2-THIOUREA Allyl bromide 1-allyl-3-phenyl-2-thiourea 1-(2-Hydroxyethyl)-3-allylthiourea Allylamine Allyl ether MEROCYANINE 540 N,N'-DIISOPROPYLTHIOUREA Allyl chloride Allyl mercaptan

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