97-77-8

Product Name: Disulfiram

Formula: C10H20N2S4

Synonyms: Disulfiram;TETD;Tetraethylthiuram disulfide;DRAM;DRAM1

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

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 Å² [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 Å²
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)