Allylthiourea

CAT: 0804-HY-B0543-01Size: 25 gDry Ice: NoHazardous: No

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Description

Allylthiourea can selectively inhibit the oxidation of ammonia. Allylthiourea is commonly used to inhibit nitrification by targeting ammonia monooxygenase and chelating copper in the active site to suppress its activity. Allylthiourea also exhibits anticancer activity, showing cytotoxicity against the MCF-7 cell line with an IC50 of 5.22 mM. Allylthiourea can be utilized in research related to micropollutant biodegradability and cancer studies[1][2][3][4].

CAS Number

109-57-9

Product Name Alternative

Thiosinamine; N-Allylthiourea

UNSPSC

12352211

Hazard Statement

H301

Target

Reactive Oxygen Species (ROS)

Type

Reference compound

Related Pathways

Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/allylthiourea.html

Concentration

10mM

Purity

99.95

Solubility

DMSO : ≥ 100 mg/mL|H2O : 50 mg/mL (ultrasonic)

Smiles

S=C(N)NCC=C

Molecular Formula

C4H8N2S

Molecular Weight

116.18

Precautions

H301

References & Citations

[1]Ginestet, P., et al., Estimation of nitrifying bacterial activities by measuring oxygen uptake in the presence of the metabolic inhibitors allylthiourea and azide. Appl Environ Microbiol, 1998. 64 (6) : p. 2266-8.|[2]Yu, Y., J.A. Ramsay, and B.A. Ramsay, Use of allylthiourea to produce soluble methane monooxygenase in the presence of copper. Appl Microbiol Biotechnol, 2009. 82 (2) : p. 333-9.|[3]Tatari K, et al. Challenges in using allylthiourea and chlorate as specific nitrification inhibitors[J]. Chemosphere, 2017, 182: 301-305.|[4]Widiandani T, et al. New N-allylthiourea derivatives: synthesis, molecular docking and in vitro cytotoxicity studies[J]. Tropical Journal of Pharmaceutical Research, 2018, 17 (8) : 1607-1613.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Allylthiourea

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.

CAS Number	109-57-9
PubChem CID	1549517
IUPAC Name	prop-2-enylthiourea
Molecular Formula	C4H8N2S
Molecular Weight	116.19
XLogP	0.2
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	79

SMILES

C=CCNC(=S)N

InChI

InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)

InChIKey

HTKFORQRBXIQHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109-57-9

CID: 1549517

Formula: C4H8N2S

MW: 116.19

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	116.19
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	116.04081944
Monoisotopic Mass	116.04081944
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	79.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B1882-50	Allylthiourea
TRC-A572403-5G	N-Allylthiourea
84554-01	N-Allylthiourea extrapure, 98%

Allylthiourea

Chemical Information

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