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109-57-9

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109-57-9 Usage

Chemical Properties

white crystals or powder

Uses

Different sources of media describe the Uses of 109-57-9 differently. You can refer to the following data:
1. chelating agent
2. N-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.

Definition

ChEBI: A thiourea with a prop-2-enyl group attached to one of the amines.

General Description

White crystalline solid with a slight garlic odor.

Air & Water Reactions

Soluble in water.

Reactivity Profile

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.

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 inhibits the growth of transplanted tumours in mice.

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.]

Check Digit Verification of cas no

The CAS Registry Mumber 109-57-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 9 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 109-57:
(5*1)+(4*0)+(3*9)+(2*5)+(1*7)=49
49 % 10 = 9
So 109-57-9 is a valid CAS Registry Number.
InChI:InChI=1/C4H8N2OS/c1-2-3-8-6-4(5)7/h2H,1,3H2,(H3,5,6,7)

109-57-9 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (A0220)  1-Allyl-2-thiourea  >98.0%(T)

  • 109-57-9

  • 25g

  • 275.00CNY

  • Detail
  • TCI America

  • (A0220)  1-Allyl-2-thiourea  >98.0%(T)

  • 109-57-9

  • 100g

  • 750.00CNY

  • Detail
  • TCI America

  • (A0220)  1-Allyl-2-thiourea  >98.0%(T)

  • 109-57-9

  • 500g

  • 2,320.00CNY

  • Detail
  • Alfa Aesar

  • (L03377)  N-Allylthiourea, 98%   

  • 109-57-9

  • 25g

  • 213.0CNY

  • Detail
  • Alfa Aesar

  • (L03377)  N-Allylthiourea, 98%   

  • 109-57-9

  • 100g

  • 658.0CNY

  • Detail
  • Aldrich

  • (108804)  N-Allylthiourea  98%

  • 109-57-9

  • 108804-50G

  • 372.06CNY

  • Detail
  • Aldrich

  • (108804)  N-Allylthiourea  98%

  • 109-57-9

  • 108804-250G

  • 1,136.07CNY

  • Detail

109-57-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Allylthiourea

1.2 Other means of identification

Product number -
Other names prop-2-enylthiourea

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:109-57-9 SDS

109-57-9Relevant articles and documents

Unexpected complexation of allylpseudothiohydantoin hydrochlorides towards CuX (X?=?Cl, NO3, ClO4, BF4, 1/2SiF6). The first known examples of joint CuI(Cl,ClO4) and CuI(Cl,BF4) π-complexes

Fedorchuk,Kinzhybalo,Slyvka, Yu. I.,Goreshnik,Bednarchuk,Lis,Mys’kiv

, p. 871 - 884 (2017)

By means of alternating current-electrochemical synthesis starting from a mixture of 2-imino-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one (3-allylpseudothiohydantoin, napt) and 2-allylamino-1,3-thiazol-4(5H)-one (allylaminopseudothiohydantoin, aapt) hydrochlorides and corresponding copper(II) salts five new π-complexes, [Cu(napt)Cl] (1), [Cu2(aapt)2Cl]NO3 (2), [Cu2(aapt)2Cl]BF4 (3), [Cu2(aapt)2Cl]ClO4 (4) and [Cu2(aapt)2Cl]2SiF6·2H2O (5), were obtained and studied by X-ray single crystal diffraction and IR-spectroscopy. Napt and aapt molecules are selectively coordinated to Cu+ depending on the anion type. In crystals of 1 and 5, the organic ligands are attached to the metal in a chelating N,(C=C)-bidentate mode. The aapt molecule in 2-4 acts as a tridentate chelating ligand, being coordinated to the copper(I) ion through the heterocyclic N atom, carbonyl O atom, and C=C?bond of allyl group, forming an original cationic [Cu2(aapt)2Cl]+ fragment with both a bridging Cl– ion and O atom of the C=O group. In the presence of the doubly charged SiF6 2– anion, Cu(I) in 5 prefers to be bonded with two bridging Cl– ions, rather than the C=O group, causing [Cu2(aapt)2Cl]+ units to associate into the infinite cationic chains. Crystals of 3 and 4 are the first known examples of the simultaneous BF4 –/Cl– or ClO4 –/Cl– participation in copper(I) π-complex formation.

ANTIVIRAL COMPOUNDS AND USE THEREOF

-

Page/Page column 36; 39-40, (2019/10/04)

The present invention relates to compounds of formula (I), their use as medicaments, in particular as broad spectrum antiviral agents, their combination with a further antiviral agent and relative pharmaceutical compositions. In particular, the compounds of the invention are useful in the treatment of a disease caused by an enveloped virus.

A pharmaceutical intermediate propenyl thiourea synthesis method (by machine translation)

-

Paragraph 0011; 0013; 0014; 0015, (2018/07/30)

A pharmaceutical intermediate propenyl thiourea synthesis method, comprises the following steps: in the reaction container by adding 5 L sodium chloride solution, 4 μM of 3 - methyl isobutyl ketone sulfur cyanic acid benzene, raising the temperature of the solution to 60 - - 65 °C, adding 5 — 6 μM of acrylamide and 6 L acetone solution, reflux 90 - 120 min, layered, take out the oil layer, potassium bromide solution for washing 5 — 7 times, be propylene isothiocyanate, desiccant dehydration, filtering, the filtrate is distilled under reduced pressure, collecting 80 — 86 °C fraction, obtained propylene thiocyanate; the resulting thiocyanate of propylene added to the 5 — 6 μM benzene acetamide, adding 2 L aqueous solution, raising the temperature of the solution to 50 — 60 °C, reaction 50 — 70 min, reduce the temperature of the solution to 10 — 15 °C, separating out crystal, filtering, washing toluene solution, butanone solution washing, dehydrating agent dehydration, to get finished propenyl thiourea. (by machine translation)

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