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

6 Citations

COA

Grade & Purity:

≥98%

Cas Number: 109-57-9
Molecular Weight: 116.18
Beilstein Registry Number: 1071470
EC Number: 203-683-5
MDL number: MFCD00004940
PubChem CID: 1549517
PubChem SID: 488191955

In stock

Item Number

A105959

Grouped product items
SKU	Size	Availability	Price
A105959-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
A105959-10g	10g	2	$19.90
A105959-25g	25g	3	$35.90
A105959-100g	100g	4	$89.90
A105959-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$319.90

Metabolic inhibitor. Selective inhibitor of ammonia oxidation.

View related series

Glucose Metabolism (1943) Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

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	Metabolic inhibitor. Selective inhibitor of ammonia oxidation. Probably acts through chelating the copper of the ammonia monooxygenase active site.
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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioureas

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioureas
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thioureas
Alternative Parents	Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488191955
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191955
IUPAC Name	prop-2-enylthiourea
INCHI	InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKey	HTKFORQRBXIQHD-UHFFFAOYSA-N
Smiles	C=CCNC(=S)N
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=

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.

23 results found

Lot Number	Certificate Type	Date	Item
E2310766	Certificate of Analysis	Apr 17, 2025	A105959
E2310760	Certificate of Analysis	Feb 11, 2025	A105959
H2119199	Certificate of Analysis	Feb 07, 2025	A105959
G2502174	Certificate of Analysis	Feb 07, 2025	A105959
H2109052	Certificate of Analysis	Feb 07, 2025	A105959
L2411354	Certificate of Analysis	Nov 29, 2024	A105959
L2411767	Certificate of Analysis	Nov 29, 2024	A105959
L2411772	Certificate of Analysis	Nov 29, 2024	A105959
L2411352	Certificate of Analysis	Nov 29, 2024	A105959
L2411353	Certificate of Analysis	Nov 29, 2024	A105959
H2408071	Certificate of Analysis	Aug 13, 2024	A105959
F2405126	Certificate of Analysis	Jun 22, 2024	A105959
E2430031	Certificate of Analysis	Jun 19, 2024	A105959
C2414084	Certificate of Analysis	Feb 29, 2024	A105959
B2401008	Certificate of Analysis	May 10, 2023	A105959
H2119445	Certificate of Analysis	May 10, 2023	A105959
H2119198	Certificate of Analysis	May 10, 2023	A105959
H2109045	Certificate of Analysis	May 10, 2023	A105959
H2109048	Certificate of Analysis	May 10, 2023	A105959
G2307494	Certificate of Analysis	May 10, 2023	A105959
J2316054	Certificate of Analysis	May 10, 2023	A105959
B23081050	Certificate of Analysis	Feb 18, 2023	A105959
E2007022	Certificate of Analysis	Feb 15, 2022	A105959

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Chemical and Physical Properties

Solubility	Soluble in water and alcohol. Slightly soluble in diethyl ether. Insoluble in benzene.
Melt Point(°C)	70-72°C
Molecular Weight	116.190 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	116.041 Da
Monoisotopic Mass	116.041 Da
Topological Polar Surface Area	70.100 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	79.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

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