Product Name

  • Name

    Pertrithiobis(thioformic acid O-ethyl) ester

  • EINECS
  • CAS No. 1851-77-0
  • Density 1.428g/cm3
  • Solubility
  • Melting Point
  • Formula C6H10O2S5
  • Boiling Point 340.8°C at 760 mmHg
  • Molecular Weight 274.474
  • Flash Point 159.9°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion. Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1851-77-0 (Pertrithiobis(thioformic acid O-ethyl) ester)
  • Hazard Symbols
  • Synonyms Bis-aethoxythiocarbonyl-trisulfan;Defoliant 713;BEXT;BEXT (VAN);Bis-ethylxanthogen trisulfide;bis-ethoxythiocarbonyl-trisulfane;Trisulfide,bis(ethoxythioxomethyl);Diaethylxanthogentrisulfid;Bis-(aethoxy-thioformyl)-trisulfid;Di(ethylxanthogen)trisulfide;Bisethylxanthate trisulfide;Aethylthioformiattrisulfid;
  • PSA 158.54000
  • LogP 3.65880

Di(ethylxanthogen)trisulfide Chemical Properties

Molecule structure of Di(ethylxanthogen)trisulfide (CAS NO.1851-77-0):

IUPAC Name: O-Ethyl ethoxycarbothioylsulfanyldisulfanylmethanethioate 
Molecular Weight: 274.4674 g/mol
Molecular Formula: C6H10O2S5 
Density: 1.428 g/cm3 
Boiling Point: 340.8 °C at 760 mmHg 
Flash Point: 159.9 °C
Index of Refraction: 1.671
Molar Refractivity: 71.9 cm3
Molar Volume: 192.1 cm3
Polarizability: 28.5×10-24 cm3
Surface Tension: 69.6 dyne/cm 
Enthalpy of Vaporization: 56.13 kJ/mol
Vapour Pressure: 0.000165 mmHg at 25 °C
XLogP3-AA: 3.7
H-Bond Acceptor: 2
Rotatable Bond Count: 8
Exact Mass: 273.928433
MonoIsotopic Mass: 273.928433
Topological Polar Surface Area: 18.5
Heavy Atom Count: 13
Complexity: 154
Canonical SMILES: CCOC(=S)SSSC(=S)OCC
InChI: InChI=1S/C6H10O2S5/c1-3-7-5(9)11-13-12-6(10)8-4-2/h3-4H2,1-2H3
InChIKey: XXYGYFJCOAIEEK-UHFFFAOYSA-N
Classification Code of Di(ethylxanthogen)trisulfide (CAS NO.1851-77-0): Agricultural Chemical; Herbicide

Di(ethylxanthogen)trisulfide Toxicity Data With Reference

1.    

orl-rat LD50:235 mg/kg

     28ZEAL    Pesticide Index. 5 (1976),69.
2.    

orl-mus LD50:140 mg/kg

     28ZEAL    Pesticide Index. 5 (1976),69.
3.    

ihl-mus LC50:300 mg/m3/3H

     85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,1018.

Di(ethylxanthogen)trisulfide Safety Profile

Poison by ingestion. Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of SOx.

Di(ethylxanthogen)trisulfide Specification

 Di(ethylxanthogen)trisulfide (CAS NO.1851-77-0) is also named as 3-03-00-00351 (Beilstein Handbook Reference) ; BEXT ; BEXT (VAN) ; BRN 1788565 ; Bis(ethoxythiocarbonyl)trisulfide ; Bis(ethylxanthogen) trisulfide ; Bis(ethylxanthogen)trisulfide ; Bisethylxanthate trisulfide ; Defoliant 713 ; Di(ethylxanthogen) trisulfide ; Di-ethoxythiokarbonyl-trisulfid ; Di-ethoxythiokarbonyl-trisulfid [Czech] ; Formic acid, trithiobis(thio-, O,O-diethyl ester ; Methanethioic acid, trithiobis-, O,O-diethyl ester ; NSC 402562 ; Trisulfide, bis(ethoxythiocarbonyl)- ; Trisulfide, bis(ethoxythioxomethyl) .

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