Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1,2-Benzisothiazol-3(2H)-one is a commonly used biocide in industrial and consumer products, which possesses antimicrobial activity against gram positive and gram negative bacteria. It is mainly used in packaging, adhesives, detergents, disinfectants, sunscreen lotions, paints and lubricants.
| Canonical Smiles | C1=CC=C2C(=C1)C(=O)NS2 |
|---|---|
| IUPAC Name | 1,2-benzothiazol-3-one |
| InChIKey | DMSMPAJRVJJAGA-UHFFFAOYSA-N |
| INCHI | 1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)NS2 |
| WGK Germany | 2 |
| RTECS | DE4620000 |
| UN Number | 3077 |
| Packing Group | III |
| Molecular Weight | 151.18 |
| Beilstein | 27(3/4)2648 |
| Reaxy-Rn | 119510 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119510&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 | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| External Descriptors | organic heterobicyclic compound - organonitrogen heterocyclic compound |
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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 | Jun 17, 2024 | B107479 | |
| Certificate of Analysis | Jun 17, 2024 | B107479 | |
| Certificate of Analysis | Mar 22, 2024 | B107479 | |
| Certificate of Analysis | Mar 22, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Jan 27, 2024 | B107479 | |
| Certificate of Analysis | Nov 28, 2023 | B107479 | |
| Certificate of Analysis | Nov 28, 2023 | B107479 | |
| Certificate of Analysis | Nov 28, 2023 | B107479 | |
| Certificate of Analysis | Nov 28, 2023 | B107479 | |
| Certificate of Analysis | Nov 28, 2023 | B107479 | |
| Certificate of Analysis | Aug 14, 2023 | B107479 | |
| Certificate of Analysis | Aug 14, 2023 | B107479 | |
| Certificate of Analysis | Aug 14, 2023 | B107479 | |
| Certificate of Analysis | Aug 14, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | May 11, 2023 | B107479 | |
| Certificate of Analysis | Dec 10, 2022 | B107479 | |
| Certificate of Analysis | Dec 10, 2022 | B107479 | |
| Certificate of Analysis | Dec 10, 2022 | B107479 | |
| Certificate of Analysis | Dec 10, 2022 | B107479 | |
| Certificate of Analysis | Dec 10, 2022 | B107479 | |
| Certificate of Analysis | Dec 10, 2022 | B107479 | |
| Certificate of Analysis | Sep 17, 2022 | B107479 | |
| Certificate of Analysis | Jul 01, 2022 | B107479 | |
| Certificate of Analysis | Jul 01, 2022 | B107479 | |
| Certificate of Analysis | Jul 01, 2022 | B107479 | |
| Certificate of Analysis | Feb 14, 2022 | B107479 |
| Solubility | Solubility in water: Practically insoluble |
|---|---|
| Sensitivity | air,heat sensitive |
| Melt Point(°C) | 154-158°C |
| Molecular Weight | 151.190 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 151.009 Da |
| Monoisotopic Mass | 151.009 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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. Liang Yang, Yao Wang, Yijia Liang, Haibin Deng, Jun Wang, Yuhao Dai, Fuyou Guo, Hong Zhou, Shili Li, Wei Ding. (2023) pH-responsive bentonite nanoclay carriers control the release of benzothiazolinone to restrain bacterial wilt disease. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, [PMID:38225096] [10.1016/j.pestbp.2023.105754] |
| 2. Dazhuang Wang, Ruotong Liu, Xiaohui Liu, Guangwen Hu, Zhineng Fu, Miao Dong, Liju Liu, Xinrui Lin, Ping Zhang, Junhua Chen, Jianxin Yang, Xinghua Xue. (2023) The Synthesis and Synergistic Effect of Heterocyclic Groups Grafted on Acrylic Polymers by Ester Groups for Marine Antifouling. Coatings, 13 (9): (1643). [PMID:] [10.3390/coatings13091643] |
| 3. Chunyan Zhu, Weiqing Yu, Shuxian Zhang, Jianchao Chen, Qingyuan Liu, Qingyu Li, Shijie Wang, Minghao Hua, Xiaohang Lin, Longwei Yin, Rutao Wang. (2023) Hexaindium Heptasulfide/Nitrogen and Sulfur Co-Doped Carbon Hollow Microspindles with Ultrahigh-Rate Sodium Storage through Stable Conversion and Alloying Reactions. ADVANCED MATERIALS, 35 (16): (2211611). [PMID:36739495] [10.1002/adma.202211611] |
| 4. Gang Zhou, Ying-si Wang, Hong Peng, Su-juan Li, Ting-li Sun, Qing-shan Shi, Jordi Garcia-Ojalvo, Xiao-bao Xie. (2022) Proteomic signatures of synergistic interactions in antimicrobials. Journal of Proteomics, [PMID:36210012] [10.1016/j.jprot.2022.104743] |
| 5. Zhenghui Qin, Jing Zhao, Haimang Wang, Bo Wang, Liang Zheng, Hongyu Zhang. (2022) Bioinspired Self-Adhesive Lubricating Copolymer with Bacteriostatic and Bactericidal Synergistic Effect for Marine Biofouling Prevention. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.2c00112] |
| 6. Zhou Gang, Wang Ying-si, Peng Hong, Li Su-juan, Sun Ting-li, Shen Peng-fei, Xie Xiao-bao, Shi Qing-shan. (2021) Roles of ompA of Citrobacter werkmanii in bacterial growth, biocide resistance, biofilm formation and swimming motility. APPLIED MICROBIOLOGY AND BIOTECHNOLOGY, 105 (7): (2841-2854). [PMID:33763710] [10.1007/s00253-020-11057-1] |
| 7. Ying Fu, Hui Du, Zhaojun Chen, Xin Liu, Xiaodong Zhang. (2019) Preparation and performance of new antifouling resins containing BIT group. JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY, [PMID:] [10.1080/01694243.2018.1509688] |
| 8. Peng Kaimei, Dai Xuexin, Mao Haili, Zou Hongtao, Yang Zaibo, Tu Weiping, Hu Jianqing. (2018) Development of direct contact-killing non-leaching antimicrobial polyurethanes through click chemistry. Journal of Coatings Technology and Research, 15 (6): (1239-1250). [PMID:] [10.1007/s11998-018-0068-1] |
| 9. Satish Gudala, Miao Dong, Xinrui Lin, Ruotong Liu, Annadurai Vinothkanna, Anubhuti Jha, Archi Sharma, Dazhuang Wang, Xinghua Liu, Jianxin Yang. (2024) 1,2,4-Triazolo-quinazolinones as Effective Antifoulants: Molecular Design, Synthesis, and Biological Evaluation. LANGMUIR, [PMID:39012063] [10.1021/acs.langmuir.4c01393] |
| 10. Xiaoxian Hao, Xin Zhang, Wenjing Wang, Wenjing Liu, Guangming Lu, Wenru Zheng, Dirong Gong, Haichao Zhao. (2024) Controlled release of 1,2-benzisothiazolin-3-one-based anion encapsulated in MgAl layered double hydroxides for antibacterial and antifouling applications. PROGRESS IN ORGANIC COATINGS, [PMID:] [10.1016/j.porgcoat.2023.108208] |
| 11. Yu Jiang, Si-Chao Liu, Li-Ping Zhang, Guo-Wei Guan, Yi-Tao Li, Shuang Ni, Run-Yuan Jiang, Su-Tao Zheng, Hao-Ran Liu, Hao-Ling Lan, Qing-Yuan Yang. (2024) Immobilization of Nickel- and Cobalt-Based Complexes in NH2-UiO-66 for Efficient CO2 Photoreduction. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.153100] |
| 12. Pengfei Yu, Zhongyu Guo, Jieqiong Wang, Yuchen Guo, Tingting Wang, Lilan Zhang. (2024) Insight into the photodegradation of methylisothiazolinone and benzoisothiazolinone in aquatic environments. WATER RESEARCH, [PMID:39173356] [10.1016/j.watres.2024.122301] |
| 13. Miao Dong, Xinrui Lin, Xinyi Liu, Xiaodong Xu, Junhua Chen, Jianxin Yang. (2025) BIT-Triazine Acrylate Resins as High-Performance Sustainable Coatings for Marine Antifouling Applications. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.5c01800] |
| 14. Peifu Sun, Xiao Zhang, Zhiren Guo, Xinyue Liu, Yuanming Lan, Dongxiang Zhang, Hansheng Li, Jinying Li, Helei Liu, Xiyan Xu. (2023) An adsorptive photo-Fenton-like removal of 1,2-benzisothiazolin-3-one by NH2-MIL-53(Fe) under simulated solar light. NEW JOURNAL OF CHEMISTRY, 47 (17): (8334-8346). [PMID:] [10.1039/D3NJ00771E] |