Sodium diethyldithiocarbamate CAS#: 148-18-5; ChemWhat Code: 38174
Identification
| Product Name | Sodium diethyldithiocarbamate |
| IUPAC Name | sodium;N,N-diethylcarbamodithioate |
| Molecular Structure |  |
| CAS Registry Number | 148-18-5 |
| EINECS Number | 205-710-6 |
| MDL Number | MFCD00041028 |
| Beilstein Registry Number | 4-08-00-01747 |
| Synonyms | sodium N,N-diethyldithiocarbamateN,n-diethyldithiocarbamic acid sodium saltDitiocarb sodiumsodium diethyl diethyldithiocarbamate trihydratesodium salt of N,N-diethyldithiocarbamateN,N-diethyl dithiocarbamate, sodium saltsodium diethyldithiocarbamate trihydrate |
| Molecular Formula | C5H10NNaS2 |
| Molecular Weight | 171.26 |
| InChI | InChI=1S/C5H11NS2.Na/c1-3-6(4-2)5(7)8;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1 |
| InChI Key | IOEJYZSZYUROLN-UHFFFAOYSA-M |
| Canonical SMILES | CCN(CC)C(=S)[S-].[Na+] |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN108191728 | Dithioformic acid derivative and preparation method thereof | 2018 |
| EP2860170 | PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE | 2015 |
| US2009/240067 | METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND | 2009 |
Physical Data
| Appearance | White slightly brown or slightly pink crystalline solid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 80 – 84 | water, acetone |
| 92 – 95 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Spectrum | 1H | dimethylsulfoxide-d6 | |
| Spectrum | 13C | dimethylsulfoxide-d6 | |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | |
| Chemical shifts | 13C | dimethylsulfoxide-d6 | |
| Chemical shifts, Spectrum | 1H | water-d2 | 400 |
| Chemical shifts, Spectrum | 13C | water-d2 | 100 |
| Chemical shifts | 1H | water-d2 | 500 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Bands | potassium bromide |
| Intensity of IR bands, Bands | potassium bromide |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Spectrum | in the presence of inorganic compounds | ||
| Spectrum | acidic aq. solution | ||
| Spectrum | CHCl3 | 200 – 330 nm, Remark: var. pH, time dependence | |
| Absorption maxima | CHCl3 | 289.86, 263.16 | |
| UV/VIS |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sodium hydroxide In ethanol; water cooling; | 90% |
| Stage #1: diethylamine With sodium hydroxide In methanol at 20℃; for 0.5h; Stage #2: carbon disulfide | 82% |
| With sodium hydroxide In ethanol at 20 – 40℃; | 73% |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Warning |
| GHS Hazard Statements | H302: Harmful if swallowed [Warning Acute toxicity, oral] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P264, P270, P273, P301+P317, P330, P391, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 171.263 |
| logP | 1.217 |
| HBA | 1 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 35.33 |
| Rotatable Bond (RotB) | 3 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Sodium diethyldithiocarbamate CAS#: 148-18-5 is used as the intermediates of Ornorostil, Noncynaide Zince Plating Additive (TDAE), Sodium ethylxanthogenate, Disulfiram. |
| biofilm formation |
| part composition for the treatment of bacterial infections |
| AIDS treatment drug |
| antiviraltment drug |
Buy Reagent | |
| No reagent supplier? | Send quick inquiry to ChemWhat |
| Want to be listed here as a reagent supplier? (Paid service) | Click here to contact ChemWhat |
Approved Manufacturers | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
| Want to be listed as an approved manufacturer (Requires approvement)? | Please download and fill out this form and send back to approved-manufacturers@chemwhat.com |
Contact Us for Other Help | |
| Contact us for other information or services | Click here to contact ChemWhat |