Product Name

  • Name

    S-[2-(diethylamino)ethyl] alpha-phenylbenzeneethanethioate hydrochloride

  • EINECS
  • CAS No. 548-68-5
  • Density g/cm3
  • Solubility
  • Melting Point 129-130°
  • Formula C20H25 N O S . Cl H
  • Boiling Point 441.8°Cat760mmHg
  • Molecular Weight 363.98
  • Flash Point 221°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and implant. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 548-68-5 (S-[2-(diethylamino)ethyl] alpha-phenylbenzeneethanethioate hydrochloride)
  • Hazard Symbols
  • Synonyms Aceticacid, diphenylthio-, S-[2-(diethylamino)ethyl] ester hydrochloride (6CI,8CI);Benzeneethanethioic acid, a-phenyl-, S-[2-(diethylamino)ethyl] ester, hydrochloride (9CI);2-(Diethylamino)ethyl diphenylthioacetate hydrochloride; Diphenylthioaceticacid 2-diethylaminoethyl ester hydrochloride; Thiphen; Thiphenamilhydrochloride; Tiphen; Trocinat; Trocinate; Trocinate hydrochloride; b-Diethylaminoethyldiphenylthioacetate hydrochloride
  • PSA 45.61000
  • LogP 5.22210

S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride Chemical Properties

Molecule structure of S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride (CAS NO.548-68-5):

IUPAC Name: S-(2-Diethylaminoethyl) 2,2-diphenylethanethioate hydrochloride 
Molecular Weight: 363.94454 g/mol
Molecular Formula: C20H26ClNOS 
Boiling Point: 441.8 °C at 760 mmHg
Flash Point: 221 °C
Enthalpy of Vaporization: 69.92 kJ/mol 
Vapour Pressure: 5.27E-08 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 9
Exact Mass: 363.142363
MonoIsotopic Mass: 363.142363
Topological Polar Surface Area: 20.3
Heavy Atom Count: 24
Complexity: 313
Canonical SMILES: CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
InChI: InChI=1S/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKey: MZWKCFGWAWRHDY-UHFFFAOYSA-N
EINECS of S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride (CAS NO.548-68-5): 208-955-7

S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride Toxicity Data With Reference

1.    

orl-rat LD50:2720 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,117.
2.    

ipr-rat LD50:1500 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),131.
3.    

imp-rat LD50:1500 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,117.
4.    

orl-mus LD50:443 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),131.
5.    

ipr-mus LD50:187 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),131.
6.    

ivn-mus LD50:30 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 89 (1947),131.
7.    

orl-dog LD50:1500 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,117.
8.    

ivn-dog LD50:30 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,117.
9.    

ivn-rbt LD50:19 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,117.

S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and implant. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.

S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride Specification

 S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride (CAS NO.548-68-5) is also named as 2-(Diethylamino)ethyl diphenylthioacetate hydrochloride ; 2-Diethylaminoethylester kyseliny difenylthiooctove hydrochlorid ; 2-Diethylaminoethylester kyseliny difenylthiooctove hydrochlorid [Czech] ; 23B ; Benzeneethanethioic acid, alpha-phenyl-, S-(2-
(diethylamino)ethyl) ester hydrochloride ; Diphenylthiolacetic acid 2-diethylaminoethyl ester hydrochloride ; S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride ; Thiphen ; Thiphenamil HCl ; Thiphenamil hydrochloride ; Tifen ; Tiphen ; Trocinat ; Trocinate ; Trocinate hydrochloride ; UNII-4OQ4SP44R2 ; beta-Diethylaminoethyl diphenylthioacetate hydrochloride .

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