| Identification | More | [Name]
Allylthiourea | [CAS]
109-57-9 | [Synonyms]
1-ALLYL-2-THIOUREA
ALLYLTHIOCARBAMIDE
ALLYLTHIOUREA
AMINOSIN
LABOTEST-BB LT00025093
N-(2-PROPENYL)THIOUREA
N-ALLYLTHIOUREA
PROPENYLTHIOUREA
RHODALLINE
THIOSINAMINE
(2-Propenyl)thiourea
1-allyl-2-thio-ure
1-Allylthiourea
2-propenyl-thioure
2-Propenylthiourea
2-propenyl-Thiourea
Allylsulfocarbamide
Allylsulfourea
Allylthioharnstoff
Allylthiomocovina | [EINECS(EC#)]
203-683-5 | [Molecular Formula]
C4H8N2S | [MDL Number]
MFCD00004940 | [Molecular Weight]
116.18 | [MOL File]
109-57-9.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystals or powder | [Melting point ]
70-72 °C(lit.)
| [Boiling point ]
191.3±33.0 °C(Predicted) | [bulk density]
550kg/m3 | [density ]
1.11 g/mL at 25 °C(lit.)
| [refractive index ]
1.5936 (estimate) | [storage temp. ]
Store below +30°C. | [solubility ]
H2O: soluble30 parts | [form ]
Powder, Crystals, Granules or Chunks | [pka]
14.57±0.70(Predicted) | [color ]
White to light beige | [Specific Gravity]
1.111.219 (20/20℃) | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [Water Solubility ]
67 g/L (20 ºC) | [Merck ]
14,9362 | [BRN ]
1071470 | [InChIKey]
HTKFORQRBXIQHD-UHFFFAOYSA-N | [CAS DataBase Reference]
109-57-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Allylthiourea(109-57-9) | [EPA Substance Registry System]
109-57-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic if swallowed. | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
2
| [RTECS ]
YR8050000
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29309070 | [Toxicity]
LD50 orally in rats: 200 mg/kg (Dieke) |
| Hazard Information | Back Directory | [Chemical Properties]
white crystals or powder. Melting point 76～78.5 ℃, relative density is 1.110, soluble in water and ethanol, slightly soluble in ethanol, insoluble in benzene, with a garlic odor. It is used as an additive for cyanide-free copper plating to increase the brightness and corrosion resistance of plated products. | [Uses]
N-Allylthiourea[109-57-9] 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.
| [Definition]
ChEBI: Allylthiourea is a thiourea with a prop-2-enyl group attached to one of the amines. It has a role as a metabolite. It is functionally related to a thiourea. | [Preparation]
In the presence of potassium iodide, in ethanol solution, chloropropene is reacted with sodium thiocyanide to form allyl isothiocyanate, which is then ammoniated in ammonium hydroxide solution, concentrated, cooled and crystallized, filtered, washed, and recrystallized in ethanol or water to produce Allylthiourea. | [General Description]
White crystalline solid with a slight garlic odor. | [Air & Water Reactions]
Soluble in water. | [Reactivity Profile]
Allylthiourea(109-57-9) 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 Hazard]
SYMPTOMS: Contact eczema due to sensitization in humans has been reported. | [Fire Hazard]
Flash point data are not available for Allylthiourea, but Allylthiourea is probably combustible. | [Biochem/physiol Actions]
N-Allylthiourea(109-57-9) inhibits the growth of transplanted tumours in mice.
| [storage]
Store at -20°C | [Purification Methods]
Recrystallise 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.] |
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