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Saccharin sodium - 98%, high purity , CAS No.128-44-9
Basic Description
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 Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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.
Associated Targets(Human)
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
504759778
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504759778
IUPAC Name
sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one
INCHI
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
InChIKey
WINXNKPZLFISPD-UHFFFAOYSA-M
Smiles
C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+]
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water; Soluble in Alcohol
Molecular Weight
205.170 g/mol
XLogP3
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
Citations of This Product
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).
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).
3.
Tai Xiaoming, Liu Cansen, Chen Wanlin, Mai Yongjin, Zhang Liuyan, Wu Xinghua, Jie Xiaohua.
(2023)
Electroplated wear and corrosion–resistant Co-Mo/CeO2 composite coatings for reducing mold fouling application. JOURNAL OF SOLID STATE ELECTROCHEMISTRY,
27
(3):
(679-694).
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,
1178
(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,
164
(106003).
6.
Sun Xiao-Dong, Wu Hai-Long, Liu Zhi, Chen Yue, Liu Qian, Ding Yu-Jie, Yu Ru-Qin.
(2019)
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).
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,
494
(131488).
8.
Qianchun Zhang, Jiaxin Liu, Yongxia Ao, Fengling Tian, Xiaofang Tian, Xinyu Luo, Meijie Xie.
(2025)
Efficient synthesis of red-emissive nitrogen-doped carbon dots for sensitive detection of amaranth in food samples. JOURNAL OF FOOD COMPOSITION AND ANALYSIS,
139
(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,
477
(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,
204
(110959).
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10 Citations
L2406705