≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504753344 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753344 |
| Canonical Smiles | CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3] |
| IUPAC Name | N,N-dimethylcarbamodithioate;iron(3+) |
| InChIKey | WHDGWKAJBYRJJL-UHFFFAOYSA-K |
| INCHI | 1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3 |
| Isomeric SMILES | CN(C)C(=S)[S-].CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Fe+3] |
| PubChem CID | 26710 |
| UN Number | 3077 |
| Packing Group | III |
| Molecular Weight | 416.49 |
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 salts |
| Class | Organic metal salts |
| Subclass | Organic transition metal salts |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic transition metal salts |
| Alternative Parents | Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form. |
| External Descriptors | Dithiocarbamate fungicides |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1518036 | Certificate of Analysis | Apr 12, 2023 | F137780 |
| I2308634 | Certificate of Analysis | Jan 02, 2023 | F137780 |
| I2308638 | Certificate of Analysis | Jan 02, 2023 | F137780 |
| D2303939 | Certificate of Analysis | Dec 16, 2022 | F137780 |
| D2303959 | Certificate of Analysis | Dec 16, 2022 | F137780 |
| D2303962 | Certificate of Analysis | Dec 16, 2022 | F137780 |
| D2303964 | Certificate of Analysis | Dec 16, 2022 | F137780 |
| H2209468 | Certificate of Analysis | Aug 11, 2022 | F137780 |
| Solubility | Insoluble in water; Degree of Solubility in water: 130 mg/l 25 °C; Soluble in Chloroform,Acetone; Slightly soluble in Benzene,Toluene; Very slightly soluble in Ethanol,Methanol |
|---|---|
| Molecular Weight | 416.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 415.917 Da |
| Monoisotopic Mass | 415.917 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 54.300 |
| 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 | 4 |
