Physicochemical Properties
| Molecular Formula | C6H12N2S3 |
| Molecular Weight | 208.37 |
| Exact Mass | 208.016 |
| CAS # | 97-74-5 |
| PubChem CID | 7347 |
| Appearance | Yellow powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 260.9±23.0 °C at 760 mmHg |
| Melting Point | 107-111 °C(lit.) |
| Flash Point | 111.6±22.6 °C |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.641 |
| LogP | 0.87 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 11 |
| Complexity | 147 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S=C(N(C)C)SC(N(C)C)=S |
| InChi Key | REQPQFUJGGOFQL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3 |
| Chemical Name | dimethylcarbamothioyl N,N-dimethylcarbamodithioate |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Toxicity/Toxicokinetics |
Interactions In adult female wistar rats, pretreated by gavage with 16 or 256 uM/kg cyanamide, tetramethylthiuram disulfide (TMTD), tetramethylthiuram monosulfide (TMTM), ziram or zineb 90 min or 18 hr before admin of 2 g ethanol/kg ip, the blood acetaldehyde levels were significantly incr for 90-240 min after ethanol admin (exceptions were noted after exposure to zineb for 90 min or to low dosed cyanamide for 18 hr). After pretreatment for identical periods with ANTU or ANIT at doses extending into the LD50 range, the blood acetaldehyde levels of rats given the same dose of ethanol remained uninfluenced. The incr in blood acetaldehyde recorded after 16 uM/kg TMTM and TMTD orally remained detectable for up to 48 hr. Onset of the cyanamide action /resulted/ after 45 min. ... |
| References |
[1]. Coleman, et al. Vibrational spectra of thiuram sulfides. Normal coordinate analysis of tetramethylthiuram mono-, di-, and tetrasulfides. Journal of Polymer Science, Polymer Physics Edition.Volume: 12.Issue: 5.Pages: 1001-13.Journal.1974. [2]. Yingtao Sun, et al. Synergistic Effect of Copper Sulfate and Tetramethylthiuram Monosulfide Induced Metal-Coordination Cross-Linking in Nitrile–Butadiene Rubber. 25 April 2021. |
| Additional Infomation | Tetramethylthiuram monosulfide is a Standardized Chemical Allergen. The physiologic effect of tetramethylthiuram monosulfide is by means of Increased Histamine Release, and Cell-mediated Immunity. |
Solubility Data
| Solubility (In Vitro) | DMSO: 250 mg/mL (1199.79 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.98 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (9.98 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.7992 mL | 23.9958 mL | 47.9916 mL | |
| 5 mM | 0.9598 mL | 4.7992 mL | 9.5983 mL | |
| 10 mM | 0.4799 mL | 2.3996 mL | 4.7992 mL |