97-77-8
Product Name:
Disulfiram
Formula:
C10H20N2S4
Synonyms:
Disulfiram;TETD;Tetraethylthiuram disulfide;DRAM;DRAM1
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Tetraethylthiuram disulfide appears as odorless or almost odorless white or almost white to tan powder. Unpleasant taste with metallic or garlic aftertaste. pH of a solution obtained by shaking 1 g with 30 mL of water is 6 to 8. (NTP, 1992) |
|---|---|
| Color/Form | WHITE TO OFF-WHITE CRYSTALLINE POWDER |
| Odor | Slight odor. |
| Taste | SLIGHTLY BITTER TASTE |
| Boiling Point | 243 °F at 17 mmHg (NTP, 1992) |
| Melting Point | 158 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.27 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0 mmHg at 68 °F approximately (NTP, 1992) |
| LogP | 3.88 |
| LogS | -4.86 |
| Ionization Efficiency | Positive |
| Collision Cross Section | 165.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2135 2141 |
| Other Experimental Properties | Wt/vol conversion: 12.10 mg/cu m = 1 ppm |
| Chemical Classes | Pesticides -> Dithiocarbamates (Pesticide) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 296.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 296.05093334 g/mol |
| Monoisotopic Mass | 296.05093334 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 201 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Tetraethylthiuram disulfide appears as odorless or almost odorless white or almost white to tan powder. Unpleasant taste with metallic or garlic aftertaste. pH of a solution obtained by shaking 1 g with 30 mL of water is 6 to 8. (NTP, 1992)