≥96% 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;2-(dimethylamino)-1-sulfonatosulfanyl-3-sulfosulfanylpropane |
| InChIKey | MBNMHBAJUNHZRE-UHFFFAOYSA-M |
| INCHI | 1S/C5H13NO6S4.Na/c1-6(2)5(3-13-15(7,8)9)4-14-16(10,11)12;/h5H,3-4H2,1-2H3,(H,7,8,9)(H,10,11,12);/q;+1/p-1 |
| Isomeric SMILES | CN(C)C(CSS(=O)(=O)O)CSS(=O)(=O)[O-].[Na+] |
| PubChem CID | 23666830 |
| Molecular Weight | 333.4 |
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 | Organic acids and derivatives |
| Class | Organic thiosulfuric acids and derivatives |
| Subclass | S-alkyl thiosulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | S-alkyl thiosulfates |
| Alternative Parents | Trialkylamines Sulfenyl compounds Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | S-alkyl thiosulfate - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Organic alkali metal salt - Amine - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as s-alkyl thiosulfates. These are organosulfur compounds that contain a alkyl chain that is attached to the sulfur atom of thiosulfuric acid (or its conjugated base). |
| External Descriptors | organic sodium salt |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2423046 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| E2423047 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| E2423048 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| E2423049 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| E2423050 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| E2423051 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| E2423052 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| E2423053 | Certificate of Analysis | Feb 05, 2026 | T684841 |
| Melt Point(°C) | 142-143° C |
|---|---|
| Molecular Weight | 333.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 332.945 Da |
| Monoisotopic Mass | 332.945 Da |
| Topological Polar Surface Area | 182.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 395.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Zhang Ying, Yuan Xinyue, Jiang Wei, Liu Huilin. (2020) Determination of nereistoxin-related insecticide via quantum-dots-doped covalent organic frameworks in a molecularly imprinted network. MICROCHIMICA ACTA, 187 (8): (1-9). [PMID:32685992] [10.1007/s00604-020-04435-z] |
| 2. Rui Wang, Yao Xiao. (2019) Preparation of monosultap-polyurethane microcapsules in an inverse emulsion through interfacial polymerization. JOURNAL OF APPLIED POLYMER SCIENCE, 137 (16): (48594). [PMID:] [10.1002/app.48594] |
| 3. Ying Zhang, Dianwei Zhang, Jingmin Liu, Shuo Wang, Huilin Liu. (2019) A high photoluminescence sensor for selective detection of cartap based on functionalized VBimBF4B ionic liquid-strengthened sulfur-doped carbon nanodots. NEW JOURNAL OF CHEMISTRY, 43 (23): (8873-8881). [PMID:] [10.1039/C9NJ00728H] |
| 4. Xin Liu, Shiyue Niu, Liqian Niu, Xian Wang, Xinxin Liu, Xin Guan, Xinyu Fan, Shuyun Bi. (2025) Synergistic recognition SERS sensor of MgO-protected AgNPs functionalized with tryptophan and β-cyclodextrin for trace monosultap analysis. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:41344008] [10.1016/j.saa.2025.127284] |
| 5. Liqian Niu, Xian Wang, Xinxin Liu, Xin Liu, Shiyue Niu, Bin Yang, Jia Liu, Shuyun Bi. (2026) Construction of the SERS substrate of AgNPs modified with N-Acetyl-L-cysteine and ZnO for sensitive detection of acephate. JOURNAL OF LUMINESCENCE, [PMID:] [10.1016/j.jlumin.2026.121796] |
