≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 29 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488185721 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185721 |
| Sonrisas canónicas | C(CSC(=N)N)C(=O)O |
| IUPAC Name | 3-carbamimidoylsulfanylpropanoic acid |
| InChIKey | ICCLGNPZARKJKF-UHFFFAOYSA-N |
| INCHI | 1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8) |
| Isómeros SMILES | C(CSC(=N)N)C(=O)O |
| Peso molecular | 148.185 |
| Reaxy-Rn | 1764409 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1764409&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | 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 |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 D2415079 | Certificate of Analysis | Mar 28, 2024 | I121960 |
| D2415080 | 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 |
| Peso molecular | 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 |
| 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, 8 (11): (2738-2745). [PMID:] [10.1039/D3RE00311F] |
| 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). [PMID:] [10.1002/apj.2901] |
| 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, [PMID:] [10.1021/acs.iecr.2c03765] |
| 4. Tianliang Lu, Xianfeng You, Yanlong Zong, Yongming Xu, Xiaomei Yang, Lipeng Zhou. (2022) Production of γ-valerolactone from ethyl levulinate over hydrothermally synthesized Sn-Beta under mild conditions. FUEL, [PMID:] [10.1016/j.fuel.2022.126262] |
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| 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). [PMID:] [10.1007/s11164-021-04646-w] |
| 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, [PMID:] [10.1016/j.cherd.2022.01.034] |
| 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, [PMID:] [10.1016/j.jclepro.2021.129276] |
| 9. Zheng Zhangbin, Wang Chen, Chen Yihang, Wang Shijie, Guo Qianhui, Chang Chun, Tao Hongge, Xu Guizhuan. (2021) One-pot efficient conversion of glucose into biofuel 5-ethoxymethylfurfural catalyzed by zeolite solid catalyst. Biomass Conversion and Biorefinery, 13 (10): (8927-8938). [PMID:] [10.1007/s13399-021-01660-1] |
| 10. Suchun Ji, Xiying Li, Qianying Chen, Pengyu Lv, Huiling Duan. (2021) Enhanced Locomotion of Shape Morphing Microrobots by Surface Coating. Advanced Intelligent Systems, 3 (7): (2000270). [PMID:] [10.1002/aisy.202000270] |
| 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). [PMID:] [10.1039/D0NJ05433J] |
| 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). [PMID:31663093] [10.1039/C9LC00759H] |
| 13. Hu Lei, Liu Su, Song Jie, Jiang Yetao, He Aiyong, Xu Jiaxing. (2019) 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). [PMID:] [10.1007/s12649-019-00703-z] |
| 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, 3 (4): (1033-1041). [PMID:] [10.1039/C8SE00545A] |
| 15. Lei Hu, Ning Li, Xiaoli Dai, Yuqi Guo, Yetao Jiang, Aiyong He, Jiaxing Xu. (2018) Highly efficient production of 2,5-dihydroxymethylfuran from biomass-derived 5-hydroxymethylfurfural over an amorphous and mesoporous zirconium phosphonate catalyst. Journal of Energy Chemistry, [PMID:] [10.1016/j.jechem.2018.12.001] |
| 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, [PMID:] [10.1016/j.jechem.2018.01.002] |
| 17. Xin Yu, Xueying Gao, Ruili Tao, Lincai Peng. (2017) Insights into the Metal Salt Catalyzed 5-Ethoxymethylfurfural Synthesis from Carbohydrates. Catalysts, 7 (6): (182). [PMID:] [10.3390/catal7060182] |
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| 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, 6 (93): (90232-90238). [PMID:] [10.1039/C6RA19116A] |
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| 21. Guoqiang Han, Yaotai Jiang, Dongshun Deng, Ning Ai. (2015) Solubilities and thermodynamic properties of SO2 in five biobased solvents. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2015.09.017] |
| 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). [PMID:] [10.3390/catal14120924] |
| 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, [PMID:] [10.1016/j.cej.2024.154537] |
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| 27. Xiaomei Yang, Ziqing Huang, Zhihao Chen, Zhongcheng Guo, Shuang Wang, Chen Chen, Fayi Wang, Lipeng Zhou. (2025) Size-controllable synthesis of uniform submicron Sn-Beta from tailorable seeds. JOURNAL OF SOLID STATE CHEMISTRY, [PMID:] [10.1016/j.jssc.2025.125554] |
| 28. Yanhong Quan, Yesu Zhang, Jun Ren. (2025) Highly efficient sulfonated styrene resins and optimization for the ethanolysis of furfuryl alcohol to ethyl levulinate. Reaction Chemistry & Engineering, [PMID:] [10.1039/D5RE00296F] |
| 29. Xiaomei Yang, Mengqing Wang, Ziqing Huang, Lipeng Zhou. (2026) Accelerated synthesis of Sn-Beta with high Sn content by tuning crystallization temperature. MICROPOROUS AND MESOPOROUS MATERIALS, [PMID:] [10.1016/j.micromeso.2026.114106] |
