Saccharin sodium - ≥98% , CAS No.128-44-9

CAS: 128-44-9 Cat. No.: S190458 Molecular Weight: 205.17 EC Number: 204-886-1

GRADE & PURITY ≥98%

Synonyms

CHEBI:32112 | Tox21_200515 | Saccharine soluble | 1,2-Benzisothiazolin-3-one, 1,1-dioxide, sodium deriv. | NSC 4867 | SACCHARIN SODIUM ANHYDROUS [II] | CAS-128-44-9 | CCRIS 706 | Sodium saccharin, anhydrous | EC 204-886-1 | Q27094367 | SACCHARIN SODIUM SA

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

CHEBI:32112 | Tox21_200515 | Saccharine soluble | 1, 2-Benzisothiazolin-3-one, 1, 1-dioxide, sodium deriv. | NSC 4867 | SACCHARIN SODIUM ANHYDROUS [II] | CAS-128-44-9 | CCRIS 706 | Sodium saccharin, anhydrous | EC 204-886-1 | Q27094367 | SACCHARIN SODIUM SA

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

′First generation′ synthetic sugar alternative that has been studied for its carcinogenic potential.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759778
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759778
• Canonical Smiles: C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+]
• IUPAC Name: sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one
• InChIKey: WINXNKPZLFISPD-UHFFFAOYSA-M
• INCHI: 1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+]
• Molecular Weight: 205.17
• Reaxy-Rn: 3599229
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3599229&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Organosulfonic acids and derivatives Carboxylic acids and derivatives Carbene-type 1,3-dipolar compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2-benzothiazole - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid derivative - Carbene-type 1,3-dipolar compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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 molecular entity

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TAS2R31 Tchem Taste receptor type 2 member 31 (86 Activities)

Discover Target: TAS2R31

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Alcohol
• Molecular Weight: 205.170 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 204.981 Da
• Monoisotopic Mass: 204.981 Da
• Topological Polar Surface Area: 60.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 308.000
• 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: 2

XLogP3

References

1. Liu Cansen, Wu Xianhong, Xu Jianyu, Li Jinyan, Xie Huisi.  (2023)  Electrodeposited Co-WS2 composite coatings with resistance to fouling, wear, and corrosion.  JOURNAL OF SOLID STATE ELECTROCHEMISTRY,  27  (12): (3487-3504).  [PMID:] [10.1007/s10008-023-05640-5]

2. Wang Yi, Qin Hui, Chen Shuyi, Liu Yuan, Luo Jun, Nie Shengqiang.  (2023)  Study on Antifouling and Blood Compatibility Properties of Carboxyl and Sulfonic Acid Groups Modified Polyvinylidene Fluoride Membrane.  FIBERS AND POLYMERS,  24  (3): (801-810).  [PMID:] [10.1007/s12221-023-00062-6]

3. Tai Xiaoming, Liu Cansen, Chen Wanlin, Mai Yongjin, Zhang Liuyan, Wu Xinghua, Jie Xiaohua.  (2022)  Electroplated wear and corrosion–resistant Co-Mo/CeO2 composite coatings for reducing mold fouling application.  JOURNAL OF SOLID STATE ELECTROCHEMISTRY,  27  (3): (679-694).  [PMID:] [10.1007/s10008-022-05361-1]

4. Xiao-Pan Liu, Wen-Qian Sun, Tong-Xin Liu, Bing-Bing Liu, Chang-Po Chen.  (2021)  Fullerenol as a water-soluble MALDI-MS matrix for rapid analysis of small molecules and efficient quantification of saccharin sodium in foods.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,      [PMID:34130205] [10.1016/j.jchromb.2021.122819]

5. Weiwei Zheng, Wentao Tian, Xiaojun Liu, Qingquan Zhang, Chenghua Zong, Jia-Ping Lai, Wenfeng Zhao.  (2021)  In situ photochemical deposition of Ag nanoparticles on polyester fiber membranes as flexible SERS substrates for sensitive detection of sodium saccharin in soft drinks.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2021.106003]

6. Sun Xiao-Dong, Wu Hai-Long, Liu Zhi, Chen Yue, Liu Qian, Ding Yu-Jie, Yu Ru-Qin.  (2018)  Rapid and Sensitive Detection of Multi-Class Food Additives in Beverages for Quality Control by Using HPLC-DAD and Chemometrics Methods.  Food Analytical Methods,  12  (2): (381-393).  [PMID:] [10.1007/s12161-018-1370-3]

7. Zhigao Ma, Bingyan Jiang, Dietmar Drummer, Lu Zhang.  (2024)  Composite electroforming of precision Ni-P-PTFE mold inserts with low internal stress and self-lubricating properties.  SURFACE & COATINGS TECHNOLOGY,      [PMID:] [10.1016/j.surfcoat.2024.131488]

8. Qianchun Zhang, Jiaxin Liu, Yongxia Ao, Fengling Tian, Xiaofang Tian, Xinyu Luo, Meijie Xie.  (2024)  Efficient synthesis of red-emissive nitrogen-doped carbon dots for sensitive detection of amaranth in food samples.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.107113]

9. Zhigao Ma, Bingyan Jiang, Dietmar Drummer, Lu Zhang.  (2024)  Influence of phosphorous acid concentration on the self-lubricating properties of electroformed Ni-P-PTFE ternary composites.  SURFACE & COATINGS TECHNOLOGY,      [PMID:] [10.1016/j.surfcoat.2024.130375]

10. Jing Xiao, Dali Zhuo, Jiayuan Tang, Jihong Chen, Chao Tan, Shu Zhang, Shichao Li, Zhirong Zou.  (2024)  Selective and sensitive detection of cyclamate in beverages using a portable pressure meter: A specific reaction-based analytical kit.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.110959]

11. Xiaofang Tian, Meijie Xie, Xinyu Luo, Boyan Zheng, Yongxia Ao, Jiaxin Liu, Mei Wang, Qianchun Zhang, Yun Wu.  (2025)  Simple synthesis of fluorine-doped carbon quantum dots for fluorescence-based Amaranth quantification in food matrices.  INORGANIC CHEMISTRY COMMUNICATIONS,      [PMID:] [10.1016/j.inoche.2025.115195]

12. Guangmao Yin, Junqing Han, Yuxi Zhu, Xinxin Song, Kexing Song, Yuying Wu.  (2025)  A new nickel-adenine composite stripper layer for preparation of extremely thin copper foils.  Journal of Materials Research and Technology-JMR&T,      [PMID:] [10.1016/j.jmrt.2025.09.235]

13. Muhammad Wasim, Muhammad Tayyab, Ali Arbab, Abdul Zeeshan Khan, Zulakha Zafar, Muhammad Arshad, Rida Javed, Maira Liaqat, Xian-Zhu Fu, Jing-Li Luo.  (2025)  Nickel-Coated Copper Foam Electrocatalytic Electrode for Energy-Saving Hydrogen Evolution and Value-Added Chemical Co-Generation.  ChemSusChem,      [PMID:40598782] [10.1002/cssc.202501065]

14. Zhigao Ma, Ziwen Wei, Bingyan Jiang, Lu Zhang.  (2025)  Electroforming of Ni–P–PTFE Nanocomposites with Nanoscale Surface Roughness and Superior Self-Lubricating Properties.  LANGMUIR,      [PMID:41342588] [10.1021/acs.langmuir.5c04900]

15. Ruidan Li, Li Tian, Yujia Song, Yanjia Guo, Guangping Ma, Pengfei Han, Hanyue Jiang, Wenzhuo Wang, Tengying Ma.  (2026)  A dual-mode electrochemiluminescence-electrochemical sensor based on Ru(bpy)32+@Ti3CN and Zn4Sn3O5 for highly sensitive detection of sodium saccharin.  FOOD CHEMISTRY,      [PMID:41619670] [10.1016/j.foodchem.2026.148192]

16. Wenbo Wang, Xinyang Luo, Zhen Pei, Shengchi Bai, Wen Wen, Huidi Yu, Xiaoqi Wang, Xingzhong Guo.  (2026)  Electroplating Nickel Coatings on Foam Nickel for Sand Control Screens.  Metals,  16  (3):   [PMID:] [10.3390/met16030257]