Allyl thiourea - ≥98% , CAS No.109-57-9

CAS: 109-57-9 Cat. No.: A105959 Molecular Weight: 116.18 Beilstein Registry Number: 1071470 EC Number: 203-683-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Allylthiouree (INN-French) | HY-B0543 | CHEBI:74079 | SR-01000802785-3 | WLN: SUYZM2U1 | ALLYLTHIOUREA [WHO-DD] | Allylthiouree [French] | SR-01000802785 | Aliltiourea | Be gone ScarsTM | EN300-17288 | NCGC00091400-01 | Q-100052 | Thiourea, 2-propenyl- |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
A105959-5g
1
$9.90
10g
A105959-10g
2
$12.90
25g
A105959-25g
4
$14.90
100g
A105959-100g
6
$38.90
500g
A105959-500g
3
$135.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Allylthiouree (INN-French) | HY-B0543 | CHEBI:74079 | SR-01000802785-3 | WLN: SUYZM2U1 | ALLYLTHIOUREA [WHO-DD] | Allylthiouree [French] | SR-01000802785 | Aliltiourea | Be gone ScarsTM | EN300-17288 | NCGC00091400-01 | Q-100052 | Thiourea, 2-propenyl- |
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
N-Allylthiourea inhibits the growth of transplanted tumours in mice.
Storage
Room temperature
Shipped In
Normal
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Pubchem Sid488191955
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191955
Canonical SmilesC=CCNC(=S)N
IUPAC Nameprop-2-enylthiourea
InChIKeyHTKFORQRBXIQHD-UHFFFAOYSA-N
INCHI1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
Isomeric SMILES C=CCNC(=S)N
WGK Germany 3
RTECS YR8050000
UN Number 2811
Packing Group I
Molecular Weight 116.18
Beilstein 1071470
Reaxy-Rn 1071470
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071470&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThioureas
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThioureas
Alternative Parents Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thioureas. These are organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with a thiocarbonyl group.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

30 results found

Lot NumberCertificate TypeDateItem
A2616187Certificate of AnalysisDec 31, 2025 A105959
A2616188Certificate of AnalysisDec 31, 2025 A105959
A2616194Certificate of AnalysisDec 31, 2025 A105959
A2616186Certificate of AnalysisDec 31, 2025 A105959
L2502083Certificate of AnalysisDec 08, 2025 A105959
B2401008Certificate of AnalysisOct 29, 2025 A105959
H2522105Certificate of AnalysisSep 01, 2025 A105959
H2508142Certificate of AnalysisAug 15, 2025 A105959
G2502174Certificate of AnalysisFeb 07, 2025 A105959
H2119199Certificate of AnalysisFeb 07, 2025 A105959
H2109052Certificate of AnalysisFeb 07, 2025 A105959
L2411353Certificate of AnalysisNov 29, 2024 A105959
L2411352Certificate of AnalysisNov 29, 2024 A105959
L2411354Certificate of AnalysisNov 29, 2024 A105959
L2411767Certificate of AnalysisNov 29, 2024 A105959
L2411772Certificate of AnalysisNov 29, 2024 A105959
H2408071Certificate of AnalysisAug 13, 2024 A105959
F2405126Certificate of AnalysisJun 22, 2024 A105959
E2430031Certificate of AnalysisJun 19, 2024 A105959
C2414084Certificate of AnalysisFeb 29, 2024 A105959
H2119198Certificate of AnalysisMay 10, 2023 A105959
J2316054Certificate of AnalysisMay 10, 2023 A105959
H2119445Certificate of AnalysisMay 10, 2023 A105959
H2109048Certificate of AnalysisMay 10, 2023 A105959
H2109045Certificate of AnalysisMay 10, 2023 A105959
G2307494Certificate of AnalysisMay 10, 2023 A105959
B23081050Certificate of AnalysisFeb 18, 2023 A105959
E2007022Certificate of AnalysisFeb 15, 2022 A105959
E2310766Certificate of AnalysisJun 04, 2021 A105959
E2310760Certificate of AnalysisJun 04, 2021 A105959

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Chemical and Physical Properties
SolubilitySoluble in water and alcohol. Slightly soluble in diethyl ether. Insoluble in benzene.
Melt Point(°C)70-72°C
Molecular Weight116.190 g/mol
XLogP30.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass116.041 Da
Monoisotopic Mass116.041 Da
Topological Polar Surface Area70.100 Ų
Heavy Atom Count7
Formal Charge0
Complexity79.800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Meng-yu Li, Bo-xuan Zhang, Lu-lu Chen, Jun-jun Kong, Yu-feng Wang, Miao Ba.  (2023)  Spontaneous directed leaching of slippery lubricant in self-stratified marine antifouling coatings for nonporous surfaces.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2023.107858]
2. Mengyu Li, Liyang Nan, Boxuan Zhang, Junjun Kong, Yufeng Wang, Miao Ba.  (2023)  Polyether-Thiourea-Siloxane Copolymer Based on H-Bonding Interaction for Marine Antifouling.  MOLECULES,  28  (8): (3574).  [PMID:37110807] [10.3390/molecules28083574]
3. Chuning Zhang, Huaqiang Chu, Qian Ma, Yanyan Chen, Jianwei Fan.  (2023)  Enhanced Heterogeneous Activation of Peroxymonosulfate by Nitrogen–Sulfur Co-Doped Mofs-Derived Carbon.  Applied Sciences-Basel,  13  (5): (3182).  [PMID:] [10.3390/app13053182]
4. Wenjie Wei, Fenghong Lu, Lixiu Cui, Yu Zhang, Yanze Wei, Lingbo Zong.  (2022)  S heteroatom doping in highly porous carbonaceous spheres for boosted oxygen reduction reaction of atomically dispersed Fe–N4 active sites.  CARBON,      [PMID:] [10.1016/j.carbon.2022.06.015]
5. Yu Xiaoqi, Ma Xiaojun, Pan Ziming, Ma Xiaoyun, Ji Xinglong, Lv Yin, Wei Zhong.  (2024)  Preparation of 3D Cellulose-Carbon Quantum Dots Hydrogels for Adsorption of Mercury from Aqueous Solution.  JOURNAL OF POLYMERS AND THE ENVIRONMENT,      [PMID:] [10.1007/s10924-023-03172-7]
6. Xiujuan Zhong, Wang Zhan, Li Ma, Guolu Yin, Guolu Yin.  (2024)  Trace detection of cadmium (II) ions based on an excessively tilted fiber grating.  OPTICS EXPRESS,  32  (9): (15851-15861).  [PMID:38859225] [10.1364/OE.521146]
7. Weiping Chen, Bingzheng Wang, Yaqing Wang, Ji Li.  (2023)  Understanding the cometabolic degradation of sulfadiazine by an enriched ammonia oxidizing bacteria culture from both extracellular and intracellular perspectives.  CHEMOSPHERE,      [PMID:37330061] [10.1016/j.chemosphere.2023.139244]
8. Jian Zhao, Shangbiao Fang, Weixiao Qi, Huijuan Liu, Jiuhui Qu.  (2022)  Do NH4+-N and AOB affect atenolol removal during simulated riverbank filtration?.  CHEMOSPHERE,      [PMID:35447203] [10.1016/j.chemosphere.2022.134653]
9. Shiyun Tang, Yuanxing Duan, Feng Chang, Wei Jiang, Fengmei Zhang, Zhihua Liu, Yuting Yang, Chunbo Liu, Yingzhuang Chen.  (2020)  The fabrication of carboxylic acid-functionalized porous layer open tube column and its application in hydrophilic interaction chromatography for small polar molecules.  JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES,      [PMID:] [10.1080/10826076.2020.1848864]
10. Donghui Kou, Wei Ma, Shufen Zhang.  (2020)  Functionalized Mesoporous Photonic Crystal Film for Ultrasensitive Visual Detection and Effective Removal of Mercury (II) Ions in Water.  ADVANCED FUNCTIONAL MATERIALS,  31  (9): (2007032).  [PMID:] [10.1002/adfm.202007032]
11. Qiugen Zhang, Jingyi Wu, Xubiao Luo.  (2016)  Facile preparation of a novel Hg(II)-ion-imprinted polymer based on magnetic hybrids for rapid and highly selective removal of Hg(II) from aqueous solutions.  RSC Advances,  (18): (14916-14926).  [PMID:] [10.1039/C5RA22008D]
12. Xiaohui Sun, Linglong Wang, Yongxiao Tuo, Bangyan Zhang, Tao Gan, Jiansong Miao, Chunming Xu.  (2025)  Syngas evolution through CO2 electroreduction over sulfur-bridged electron deficient cobalt and nickel dual atom catalysts.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165199]
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