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541-53-7

541-53-7 structural image
Product Name: Dithiobiuret
Formula: C2H5N3S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dithiobiuret is a crystalline solid. Used as a plasticizer, as a rubber accelerator, and as an intermediate in manufacturing of pesticides. (EPA, 1998)
Color/Form MONOCLINIC OR TRICLINIC CRYSTALS
Melting Point 358 °F decomposes (EPA, 1998)
Solubility @ 27 °C: 0.27 G/100 ML WATER, 2.2 G/100 G ETHANOL, 16 G/100 G ACETONE, ABOUT 34 G/100 G CELLOSOLVE; IN BOILING WATER= ABOUT 8%; IN 1%SODIUM HYDROXIDE= 3.6 G/100 G; IN 5% SODIUM HYDROXIDE= 16 G/100 G; IN 10% SODIUM HYDROXIDE= 29 G/100 G; SOL IN ALKALIES WITH FORMATION OF WATER-SOLUBLE SALTS.
Density 1.522 at 86 °F (EPA, 1998) - Denser than water; will sink
Decomposition DECOMPOSES @ 181 °C
pH SATURATED AQ SOLN @ 30 °C: 5.8
Chemical Classes Nitrogen Compounds -> Thiourea Compounds

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P262:Do not get in eyes, on skin, or on clothing.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 135.22 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 134.99248952 g/mol
Monoisotopic Mass 134.99248952 g/mol
Topological Polar Surface Area 128 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 87.1
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

Dithiobiuret is a crystalline solid. Used as a plasticizer, as a rubber accelerator, and as an intermediate in manufacturing of pesticides. (EPA, 1998)