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3-Isothioureidopropionic Acid - 90%, high purity , CAS No.5398-29-8

    Grade & Purity:
  • ≥90%
In stock
Item Number
I121960
Grouped product items
SKU Size
Availability
Price Qty
I121960-50mg
50mg
3
$17.90
I121960-250mg
250mg
3
$69.90
I121960-1g
1g
4
$172.90

Basic Description

Synonyms 5398-29-8 | 3-(Amidinothio)propionic acid | 3-ISOTHIOUREIDOPROPIONIC ACID | 3-carbamimidoylsulfanylpropanoic acid | beta-Isothiureidopropionic acid | 3-(Aminoiminomethyl)thiopropanoic acid | 3-[(aminoiminomethyl)thio]propanoic acid | Propionic acid, 3-(amidinothio)- | EL
Specifications & Purity ≥90%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Fatty Acyls
Subclass Fatty acids and conjugates
Intermediate Tree Nodes Not available
Direct Parent Straight chain fatty acids
Alternative Parents Isothioureas  Sulfenyl compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Carboximidamides  Organopnictogen compounds  Organic oxides  Imines  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aliphatic acyclic compounds
Substituents Straight chain fatty acid - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboximidamide - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Imine - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
Description This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
External Descriptors Not available

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 488185721
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185721
IUPAC Name 3-carbamimidoylsulfanylpropanoic acid
INCHI InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)
InChIKey ICCLGNPZARKJKF-UHFFFAOYSA-N
Smiles C(CSC(=N)N)C(=O)O
Isomeric SMILES C(CSC(=N)N)C(=O)O
Molecular Weight 148.185
Reaxy-Rn 1764409
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1764409&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.

6 results found

Lot Number Certificate Type Date Item
D2415080 Certificate of Analysis Mar 28, 2024 I121960
D2415079 Certificate of Analysis Mar 28, 2024 I121960
E2411311 Certificate of Analysis Mar 16, 2024 I121960
B1615076 Certificate of Analysis Oct 07, 2023 I121960
I2219019 Certificate of Analysis Jul 20, 2022 I121960
I2219020 Certificate of Analysis Jul 20, 2022 I121960

Chemical and Physical Properties

Molecular Weight 148.190 g/mol
XLogP3 -0.300
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 148.031 Da
Monoisotopic Mass 148.031 Da
Topological Polar Surface Area 112.000 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 126.000
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

1. Haoran Yuan, Chengyu Li, Rui Shan, Jun Zhang, Yong Chen.  (2023)  Antibiotic residue derived solid acids for ethanolysis of furfuryl alcohol into ethyl levulinate.  Reaction Chemistry & Engineering,  (11): (2738-2745). 
2. Yu Jia, Haoran Zhao, Yihang Chen, Xuanyu Liang, Hongge Tao, Guizhuan Xu, Chun Chang.  (2023)  Experimental study combined with density functional theory and molecular dynamics simulation on the mechanism of glucose alcoholysis reaction.  Asia-Pacific Journal of Chemical Engineering,  18  (3): (e2901). 
3. Dongying Yan, Ruilin Feng, Yanlong Qi, Chenxi Bai.  (2023)  Highly Selective Production of Renewable 1,3-Pentadiene from 1,4-Pentanediol over an Acid–Base (K–Ce/ZrSi) Catalyst by Adjusting the Parallel-Reaction Pathway.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  62  (9): (4164–4174). 
4. Tianliang Lu, Xianfeng You, Yanlong Zong, Yongming Xu, Xiaomei Yang, Lipeng Zhou.  (2023)  Production of γ-valerolactone from ethyl levulinate over hydrothermally synthesized Sn-Beta under mild conditions.  FUEL,  332  (126262). 
5. Hu Aiyun, Wang Haijun, Ding Jian.  (2022)  Synthesis of ethyl levulinate from furfuryl alcohol using waste yeast/sulfonic acid heterogeneous catalyst system.  CHEMICAL PAPERS,  76  (12): (7535-7544). 
6. Zhang Zhongze, Liu Zonghui, Gu Zhiyuan, Wen Zhe, Xue Bing.  (2022)  Selective production of γ-Valerolactone from ethyl levulinate by catalytic transfer hydrogenation over Zr-based catalyst.  RESEARCH ON CHEMICAL INTERMEDIATES,  48  (3): (1181-1198). 
7. Qiuyan Ding, Hong Li, Zhanpeng Liang, Rui Zuo, Songzhe Huang, Xingang Li, Yilai Jiao, Xin Gao.  (2022)  Reactive distillation for sustainable synthesis of bio-ethyl lactate: Kinetics, pilot-scale experiments and process analysis.  CHEMICAL ENGINEERING RESEARCH & DESIGN,  179  (388). 
8. Fengjiao Lai, Feng Yan, Pengju Wang, Fan Qu, Xuehua Shen, Zuotai Zhang.  (2021)  Efficient one-pot synthesis of ethyl levulinate from carbohydrates catalyzed by Wells-Dawson heteropolyacid supported on Ce–Si pillared montmorillonite.  Journal of Cleaner Production,  324  (129276). 
9. Zheng Zhangbin, Wang Chen, Chen Yihang, Wang Shijie, Guo Qianhui, Chang Chun, Tao Hongge, Xu Guizhuan.  (2023)  One-pot efficient conversion of glucose into biofuel 5-ethoxymethylfurfural catalyzed by zeolite solid catalyst.  Biomass Conversion and Biorefinery,  13  (10): (8927-8938). 
10. Suchun Ji, Xiying Li, Qianying Chen, Pengyu Lv, Huiling Duan.  (2021)  Enhanced Locomotion of Shape Morphing Microrobots by Surface Coating.  Advanced Intelligent Systems,  (7): (2000270). 
11. Zhi Zhang, Zhihang Huang, Hong Yuan.  (2021)  Direct conversion of cellulose to ethyl levulinate catalysed by modified fibrous mesoporous silica nanospheres in a co-solvent system.  NEW JOURNAL OF CHEMISTRY,  45  (12): (5526-5539). 
12. Kai Hu, Liang Yang, Dongdong Jin, Jiawen Li, Shengyun Ji, Chen Xin, Yanlei Hu, Dong Wu, Li Zhang, Jiaru Chu.  (2019)  Tunable microfluidic device fabricated by femtosecond structured light for particle and cell manipulation.  LAB ON A CHIP,  19  (23): (3988-3996). 
13. Hu Lei, Liu Su, Song Jie, Jiang Yetao, He Aiyong, Xu Jiaxing.  (2020)  Zirconium-Containing Organic–Inorganic Nanohybrid as a Highly Efficient Catalyst for the Selective Synthesis of Biomass-Derived 2,5-Dihydroxymethylfuran in Isopropanol.  Waste and Biomass Valorization,  11  (7): (3485-3499). 
14. Lei Hu, Xiaoli Dai, Ning Li, Xing Tang, Yetao Jiang.  (2019)  Highly selective hydrogenation of biomass-derived 5-hydroxymethylfurfural into 2,5-bis(hydroxymethyl)furan over an acid–base bifunctional hafnium-based coordination polymer catalyst.  Sustainable Energy & Fuels,  (4): (1033-1041). 
15. Lei Hu, Ning Li, Xiaoli Dai, Yuqi Guo, Yetao Jiang, Aiyong He, Jiaxing Xu.  (2019)  Highly efficient production of 2,5-dihydroxymethylfuran from biomass-derived 5-hydroxymethylfurfural over an amorphous and mesoporous zirconium phosphonate catalyst.  Journal of Energy Chemistry,  37  (82). 
16. Huai Liu, Xing Tang, Weiwei Hao, Xianhai Zeng, Yong Sun, Tingzhou Lei, Lu Lin.  (2018)  One-pot tandem conversion of fructose into biofuel components with in-situ generated catalyst system.  Journal of Energy Chemistry,  27  (375). 
17. Xin Yu, Xueying Gao, Ruili Tao, Lincai Peng.  (2017)  Insights into the Metal Salt Catalyzed 5-Ethoxymethylfurfural Synthesis from Carbohydrates.  Catalysts,  (6): (182). 
18. Zhongwei Wang, Hu Li, Chengjiang Fang, Wenfeng Zhao, Tingting Yang, Song Yang.  (2017)  Simply Assembly of Acidic Nanospheres for Efficient Production of 5-Ethoxymethylfurfural from 5-Hydromethylfurfural and Fructose.  Energy Technology,  (11): (2046-2054). 
19. Xiao-Fang Liu, Hu Li, Heng Zhang, Hu Pan, Shan Huang, Kai-Li Yang, Song Yang.  (2016)  Efficient conversion of furfuryl alcohol to ethyl levulinate with sulfonic acid-functionalized MIL-101(Cr).  RSC Advances,  (93): (90232-90238). 
20. Jun Zhang, Jinzhu Chen.  (2016)  Modified solid acids derived from biomass based cellulose for one-step conversion of carbohydrates into ethyl levulinate.  Journal of Energy Chemistry,  25  (747). 
21. Guoqiang Han, Yaotai Jiang, Dongshun Deng, Ning Ai.  (2016)  Solubilities and thermodynamic properties of SO2 in five biobased solvents.  JOURNAL OF CHEMICAL THERMODYNAMICS,  92  (207). 
22. Yu Yue, Guozhi Zhu, Min Liu, Yue Zhu, Weilong Ji, Xiaoqin Si, Tianliang Lu.  (2024)  Catalytic Conversion of Ethyl Levulinate to γ-Valerolactone Under Mild Conditions over Zr-Beta Acidic Zeolite Prepared by Hydrothermal Method.  Catalysts,  14  (12): (924). 
23. Rulu Huang, Yue Wang, Feiyi Chen, Huai Liu, Rui Zhang, Wenlong Jia, Lincai Peng, Yong Sun, Junhua Zhang.  (2024)  Facile generation of unsaturated-coordinated and atomically-dispersed hafnium active sites for the highly efficient catalytic transfer hydrogenation of levulinic acid.  CHEMICAL ENGINEERING JOURNAL,  497  (154537). 
24. Yesu Zhang, Yanhong Quan, Jun Ren.  (2024)  Influence of the surface SO3H groups on the performance of activated carbon catalyst for ethanolysis of furfuryl alcohol to ethyl levulinate.  Molecular Catalysis,  565  (114363). 
25. Hongjin Qu, Tianliang Lu, Xiaomei Yang, Lipeng Zhou.  (2024)  Promoting tin into the framework of β zeolite via stabilizing Sn species and its catalytic performance for the conversion of ethyl levulinate to γ-valerolactone.  RENEWABLE ENERGY,  229  (120746). 
26. Haoran Zhao, Yu Jia, Yihang Chen, Xuanyu Liang, Jinbo Hao, Binglin Chen, Chao He, Liang Liu, Chun Chang, Guizhuan Xu.  (2024)  Synthesis of biomass-derived ethyl levulinate from steam-exploded corn straw.  Asia-Pacific Journal of Chemical Engineering,  19  (4): (e3076). 

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