Disulfiram

Description

Tetraethylthiuram disulfide · CAS 97-77-8 · C10H20N2S4. UNII TR3MLJ1UAI. Boiling Point: 243 °F at 17 mmHg (NTP, 1992); Boiling Point: 117; Boiling Point: 117 °C at 17 mm Hg.

Identification

CAS Registry Number	97-77-8
PubChem CID	3117
Molecular formula	C10H20N2S4
IUPAC name	diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
UNII (FDA)	TR3MLJ1UAI

Computed Descriptors

Molecular Weight	296.5
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	296.05093334
Monoisotopic Mass	296.05093334
Topological Polar Surface Area	121
Heavy Atom Count	16
Formal Charge	0

Physical & Chemical Properties

Boiling Point	243 °F at 17 mmHg (NTP, 1992)
Boiling Point	117
Boiling Point	117 °C at 17 mm Hg
Boiling Point	at 2.3kPa: 117 °C
Boiling Point	243 °F
Boiling Point	117 °C @760 [mm Hg]
Melting Point	158 °F (NTP, 1992)
Melting Point	71.5
Melting Point	71.5 °C
Melting Point	71 °C

Physical description & handling notes

• 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)
• Dry Powder; Gas Vapor; Dry Powder; Other Solid; Large Crystals; Dry Powder
• White, yellowish, or light-gray powder with a slight odor.(fungicide); [NIOSH]
• Solid
• WHITE-TO-GREY POWDER WITH CHARACTERISTIC ODOUR.
• White, yellowish, or light-gray powder with a slight odor.

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS

GHS Hazard Classification

Reported hazard statements	H302, H317, H373, H400, H410, H332 (12.1%), H319 (12.1%), H361

Documented Uses

• Used as a fungicide, a rubber accelerator, and a drug to treat alcoholism; [ACGIH]
• Rubber accelerator; vulcanizer; seed disinfectant; fungicide
• A vulcanization accelerator in the production of natural rubber and synthetic elastomers isobutylene-isoprene, butadiene, styrene-butadiene, isoprene, and nitrile-butadiene rubber. An activator of thiazole accelerators, plasticizer in neoprene. Bis(diethylthiocarbamoyl) disulfide is used to obtain colored vulcanizates.
• For more Uses (Complete) data for DISULFIRAM (6 total), please visit the HSDB record page.
• Use (kg; approx.) in Germany (2009): >100
• Consumption (g per capita; approx.) in Germany (2009): 0.00122

Synonyms

disulfiram; Tetraethylthiuram disulfide; 97-77-8; Antabuse; Bis(diethylthiocarbamoyl) disulfide; Esperal; Teturam; Alcophobin; Antabus; Anticol; Exhorran; Abstinyl; Antadix; Antietil; Aversan; Dicupral

Frequently Asked Questions

What are the CAS number and molecular formula of Tetraethylthiuram disulfide?

CAS 97-77-8; molecular formula C10H20N2S4; molecular weight — g/mol.

What other names is Tetraethylthiuram disulfide known by?

disulfiram, Tetraethylthiuram disulfide, 97-77-8, Antabuse, Bis(diethylthiocarbamoyl) disulfide, Esperal.

What is the regulatory status of Tetraethylthiuram disulfide?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is Tetraethylthiuram disulfide classified as hazardous?

Hazard statements reported: H302, H317, H373, H400, H410.

What are the key physical properties of Tetraethylthiuram disulfide?

Boiling Point: 243 °F at 17 mmHg (NTP, 1992); Boiling Point: 117; Boiling Point: 117 °C at 17 mm Hg; Boiling Point: at 2.3kPa: 117 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.