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3278-35-1

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Basic Information
CAS No.: 3278-35-1
Name: diethyl thiodicarbonate
Article Data: 7
Molecular Structure:
Molecular Structure of 3278-35-1 (diethyl thiodicarbonate)
Formula: C6H10O3S2
Molecular Weight: 194.276
Density: 1.242g/cm3
Boiling Point: 236°C at 760 mmHg
Flash Point: 96.5°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx. See also SULFIDES.
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Chemistry

Product Name: Ethyl xanthogen ethyl formate (CAS NO.3278-35-1)


Molecular Formula: C6H10O3S2
Molecular Weight: 194.28g/mol
Mol File: 3278-35-1.mol
EINECS: 221-911-1
Boiling point: 236 °C at 760 mmHg
Flash Point: 96.5 °C
Density: 1.242 g/cm3
Surface Tension: 48.3 dyne/cm
Enthalpy of Vaporization: 47.27 kJ/mol
Vapour Pressure: 0.0487 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Ethyl xanthogen ethyl formate (CAS NO.3278-35-1):
  IUPAC Name: ethyl ethoxycarbothioylsulfanylformate 
  Canonical SMILES: CCOC(=O)SC(=S)OCC
  InChI: InChI=1S/C6H10O3S2/c1-3-8-5(7)11-6(10)9-4-2/h3-4H2,1-2H3 
  InChIKey: SRMBUOSQQRRJRV-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LDLo:125 mg/kg

     CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 8 (1956),492.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of SOx. See also SULFIDES.

Specification

 Ethyl xanthogen ethyl formate , its CAS NO. is 3278-35-1, the synonyms are AI3-19742 ; EINECS 221-911-1 ; NSC 403191 ; Xanthic acid, ethyl-, anhydrosulfide with O-ethyl thiocarbonate ; Carbonic acid, dithio-, anhydrosulfide with O-ethyl
thiocarbonate, O-ethyl ester (8CI) ; Diethyl thiodicarbonate ((OH)C(O)SC(S)(OH)) ; Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), OC,OC'-diethyl ester ; Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), diethyl ester  Thiodicarbonic acid, diethyl ester .