Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 30 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A JAK/STAT signaling pathway inhibitor
| Pubchem Sid | 488191797 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191797 |
| Canonical Smiles | CN1C=CNC1=S |
| IUPAC Name | 3-methyl-1H-imidazole-2-thione |
| InChIKey | PMRYVIKBURPHAH-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) |
| Isomeric SMILES | CN1C=CNC1=S |
| WGK Germany | 3 |
| RTECS | NI8615000 |
| Molecular Weight | 114.17 |
| Beilstein | 108646 |
| Reaxy-Rn | 108646 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108646&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 | Organoheterocyclic compounds |
| Class | Azolines |
| Subclass | Imidazolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazolethiones |
| Alternative Parents | N-substituted imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-substituted imidazole - Imidazole-2-thione - Heteroaromatic compound - Imidazole - Azole - Thiourea - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazolethiones. These are aromatic compounds containing an imidazole ring which bears a thioketone group. |
| External Descriptors | a small molecule |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 26, 2025 | M106466 | |
| Certificate of Analysis | Apr 26, 2025 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Jun 13, 2023 | M106466 | |
| Certificate of Analysis | Feb 13, 2023 | M106466 | |
| Certificate of Analysis | Mar 01, 2022 | M106466 | |
| Certificate of Analysis | Mar 01, 2022 | M106466 | |
| Certificate of Analysis | Mar 01, 2022 | M106466 | |
| Certificate of Analysis | Mar 01, 2022 | M106466 | |
| Certificate of Analysis | Mar 01, 2022 | M106466 | |
| Certificate of Analysis | Feb 21, 2022 | M106466 | |
| Certificate of Analysis | Feb 21, 2022 | M106466 |
| Solubility | Soluble in DMSO (23 mg/ml at 25 °C), ethanol (23 mg/ml at 25 °C), chloroform (~222.22 mg/ml), water (~200 mg/ml), and methanol. |
|---|---|
| Sensitivity | Air sensitive |
| Boil Point(°C) | 280°C |
| Melt Point(°C) | 145°C |
| Molecular Weight | 114.170 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 114.025 Da |
| Monoisotopic Mass | 114.025 Da |
| Topological Polar Surface Area | 47.400 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 119.000 |
| 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 |
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| 2. Rui Wang, Yunyun Zheng, Yunsheng Xia. (2023) Solid State Fabrication of Copper Nanoclusters and Supraparticles. Chemistry-Switzerland, 5 (3): (1990-1997). [PMID:] [10.3390/chemistry5030134] |
| 3. Junqiao Jiang, Min Xiao, Sheng Huang, Dongmei Han, Shuanjin Wang, Yuezhong Meng. (2023) Phosphonic acid-imidazolium containing polymer ionomeric membranes derived from poly (phenylene oxide) towards boosting the performance of HT-PEM fuel cells. JOURNAL OF MEMBRANE SCIENCE, [PMID:] [10.1016/j.memsci.2023.121982] |
| 4. Shaoping Feng, Kun Huang. (2023) Accelerated kinetics of Pd(II) solvent extraction using functionalized 1-methyl-2-(nonylthio)-1H-imidazole and its comparison with dialkylsulfide to separate Pd(II) and Pt(IV). HYDROMETALLURGY, [PMID:] [10.1016/j.hydromet.2023.106143] |
| 5. Long Fei, Zhu Qi, Li Yingping. (2022) A Novel Ratio Probe Based on Mixing of Thiocyanuric Acid- Enhanced Silver Nanoclusters with N, S Co-Doped Carbon Quantum Dots for Detecting Sodium 2,3-Dimercapto Propanesulfonic Acid. JOURNAL OF AOAC INTERNATIONAL, 105 (6): (1596-1604). [PMID:35737396] [10.1093/jaoacint/qsac075] |
| 6. Cheng Zhang, Congying Shao, Junsheng Wang, Ziwei Li, Mengna Liang, Yongxiang Wang, Dan Liu, Shun Lu. (2022) Multifunctional Fluorescent Copper Nanoclusters for Ag+ Sensing, Anticounterfeiting, and Blue/White Light-Emitting Diodes. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.2c01449] |
| 7. Zhaoyu Liu, Dong Yao, Huiwen Liu, Hao Zhang. (2022) Metal Nanoclusters/Polyvinyl Alcohol Composite Films as the Alternatives for Fabricating Remote-Type White Light-Emitting Diodes. Nanomaterials, 12 (2): (204). [PMID:35055223] [10.3390/nano12020204] |
| 8. Xiang-Ping Zhang, Kai-Yuan Huang, Shao-Bin He, Hua-Ping Peng, Xing-Hua Xia, Wei Chen, Hao-Hua Deng. (2020) Single gold nanocluster probe-based fluorescent sensor array for heavy metal ion discrimination. JOURNAL OF HAZARDOUS MATERIALS, [PMID:33097345] [10.1016/j.jhazmat.2020.124259] |
| 9. Hao-Hua Deng, Qiong-Qiong Zhuang, Kai-Yuan Huang, Paramasivam Balasubramanian, Zhen Lin, Hua-Ping Peng, Xing-Hua Xia, Wei Chen. (2020) Solid-state thiolate-stabilized copper nanoclusters with ultrahigh photoluminescence quantum yield for white light-emitting devices. Nanoscale, 12 (29): (15791-15799). [PMID:32729883] [10.1039/D0NR03640D] |
| 10. Bihong Lv, Kunxiang Wu, Zuoming Zhou, Guohua Jing. (2019) How did the corrosion inhibitor work in amino-functionalized ionic liquids for CO2 capture: Quantum chemical calculation and experimental. International Journal of Greenhouse Gas Control, [PMID:] [10.1016/j.ijggc.2019.102846] |
| 11. Bitao Lu, Fei Lu, Luoxiao Ran, Kun Yu, Yang Xiao, Zhiquan Li, Fangying Dai, Dayang Wu, Guangqian Lan. (2018) Self-assembly of natural protein and imidazole molecules on gold nanoparticles: Applications in wound healing against multi-drug resistant bacteria. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:30059736] [10.1016/j.ijbiomac.2018.07.167] |
| 12. Tao Liu, James M. Angelo, Dong-Qiang Lin, Abraham M. Lenhoff, Shan-Jing Yao. (2017) Characterization of dextran-grafted hydrophobic charge-induction resins: Structural properties, protein adsorption and transport. JOURNAL OF CHROMATOGRAPHY A, [PMID:28855091] [10.1016/j.chroma.2017.07.090] |
| 13. Han Jun, Zhang Hai, Wang Sheng, Zhou Jun, Luo Yi, Long Li-Hong, Hu Zhuang-Li, Wang Fang, Chen Jian-Guo, Wu Peng-Fei. (2016) Potentiation of Surface Stability of AMPA Receptors by Sulfhydryl Compounds: A Redox-Independent Effect by Disrupting Palmitoylation. NEUROCHEMICAL RESEARCH, 41 (11): (2890-2903). [PMID:27426946] [10.1007/s11064-016-2006-x] |
| 14. Tao Liu, Dong-Qiang Lin, Qi-Ci Wu, Qi-Lei Zhang, Cun-Xiang Wang, Shan-Jing Yao. (2016) A novel polymer-grafted hydrophobic charge-induction chromatographic resin for enhancing protein adsorption capacity. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2016.06.074] |
| 15. Fang Cheng, Ming-Yang Li, Han-Qi Wang, Dong-Qiang Lin, Jing-Ping Qu. (2015) Antibody–Ligand Interactions for Hydrophobic Charge-Induction Chromatography: A Surface Plasmon Resonance Study. LANGMUIR, [PMID:25734470] [10.1021/la5044987] |
| 16. Tao Liu, Dong-Qiang Lin, Hui-Li Lu, Shan-Jing Yao. (2014) Preparation and evaluation of dextran-grafted agarose resin for hydrophobic charge-induction chromatography. JOURNAL OF CHROMATOGRAPHY A, [PMID:25441078] [10.1016/j.chroma.2014.10.014] |
| 17. Yingying Luo, Ziyang Lu, Yinhua Jiang, Dandan Wang, Lili Yang, Pengwei Huo, Zulin Da, Xuliang Bai, Xulan Xie, Pengyi Yang. (2013) Selective photodegradation of 1-methylimidazole-2-thiol by the magnetic and dual conductive imprinted photocatalysts based on TiO2/Fe3O4/MWCNTs. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2013.11.088] |
| 18. Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu. (2025) Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources. TALANTA, [PMID:40157196] [10.1016/j.talanta.2025.127975] |
| 19. Zhen Tian, Yiyang Li, Lina Wang, Rui Xu, Aihua Wei, Jun He, Chengjun Wang. (2024) Insights into the generation of multiple reactive species in UV254/PMS/I− system and their roles for degradation of phenolic and non-phenolic pollutants. Journal of Water Process Engineering, [PMID:] [10.1016/j.jwpe.2024.105345] |
| 20. Lei Xie, Ziyi Niu, Shimin Xiao, Hongyuan Wang, Yongpu Zhang. (2024) Morphological and Transcriptomic Analyses Reveal the Toxicological Mechanism and Risk of Nitrate Exposure in Bufo gargarizans Embryos. Animals, 14 (6): (961). [PMID:38540059] [10.3390/ani14060961] |
| 21. Rui Cai, Qian Cheng, Jiayu Zhao, Peirong Zhou, Zhaodan Wu, Xuemin Ma, Yajuan Hu, Huiyue Wang, Xiaorong Lan, Jing Zhou, Gang Tao. (2025) Sericin-Assisted Green Synthesis of Gold Nanoparticles as Broad-Spectrum Antimicrobial and Biofilm-Disrupting Agents for Therapy of Bacterial Infection. International Journal of Nanomedicine, [PMID:40125431] [10.2147/IJN.S494616] |
| 22. Yuting Long, Hong Li, Wenbo Wang, Xinxin Yang, Zirui Liu. (2022) Ultrasensitive detection of Cr(VI) using a novel SERS optical fiber probe modified by dual-functional methimazole. JOURNAL OF ALLOYS AND COMPOUNDS, [PMID:] [10.1016/j.jallcom.2022.164916] |
| 23. Pan Hong, Shi Fu-guo, Fang Chao, Shi Jing-shan. (2021) Metabolic characterization of a potent natural neuroprotective agent dendrobine in vitro and in rats. ACTA PHARMACOLOGICA SINICA, 43 (4): (1059-1071). [PMID:34183753] [10.1038/s41401-021-00690-9] |
| 24. Xiaolei Zhao, Yu He, Yanan Wang, Shuo Wang, Junping Wang. (2019) Hollow molecularly imprinted polymer based quartz crystal microbalance sensor for rapid detection of methimazole in food samples. FOOD CHEMISTRY, [PMID:31771917] [10.1016/j.foodchem.2019.125787] |
| 25. Yan Liu, Tian Zhao, Shuzhen Li, Yichuan Cao, Guozhen Fang. (2024) A Molecularly Imprinted Fluorescence Sensor Based on Upconversion-Nanoparticle-Grafted Covalent Organic Frameworks for Specific Detection of Methimazole. Processes, 12 (3): (626). [PMID:] [10.3390/pr12030626] |
| 26. Yang Chen, Yatao Yan, Mengting Shao, Yongjian Xu, Guowang Diao, Ming Chen. (2024) Electronic structure regulation of nitrogen and phosphorus double doping for N, P-Co4S3/NC nanospheres to enhance all-pH hydrogen evolution. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2024.113913] |
| 27. Fei Wei, Xueyi Wu, Hongyuan Wang, Yongpu Zhang, Lei Xie. (2025) Methimazole disrupted skeletal ossification and muscle fiber transition in Bufo gargarizans larvae. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:39793290] [10.1016/j.ecoenv.2025.117684] |
| 28. Shanshan Wu, Xinyu Li, Bijun Wang, Jingshuo Jiang, Di Tao, Zhenhong Xia, Hang Gao, Ningning Wang. (2025) Sensitive detection of methimazole based on aggregation-induced delayed electrochemiluminescence active organic dots. TALANTA, [PMID:40024129] [10.1016/j.talanta.2025.127851] |
| 29. Zeming Li, Jiajun Tan, Chuqing Zhou, Siyi Zhou, Yuanli Ye, Xinzhu Li, Xinyu Shen, Tian Xie, Mengyue Wang, Jingwei Jiang, Yiping Zhao, Xiao Xiang, Yong Zhou, Jun Wu, Cheng-Ming Chuong, Mingxing Lei. (2025) Spatiotemporal Adaptations-Driven Dynamic Thra Activation Simulates a Skin Wound Healing Response. Advanced Science, [PMID:40558382] [10.1002/advs.202506651] |
| 30. Pengshuai Zhang, Binbin Wu, Jiaxuan Xu, Yixin Zhang, Qianjin Chen, Ruipeng Bao, Xiaoqiang Lian, Yue Zeng, Chuanmin Song, Yunpeng Shen, Shuoye Yang. (2025) Uncovering the Molecular Mechanism and Dissolution Behavior of a Thyroid Inhibitor Methimazole (Form I) in Three Binary Solvents Based on Experiments, Quantum Simulations and Thermodynamic Analysis. JOURNAL OF PHYSICAL CHEMISTRY B, [PMID:41169145] [10.1021/acs.jpcb.5c05360] |
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