Basic Information | Post buying leads | Suppliers |
Name |
S-(2-(Diethylamino)ethyl) diphenylthioacetate hydrochloride |
EINECS | N/A |
CAS No. | 548-68-5 | Density | g/cm3 |
PSA | 45.61000 | LogP | 5.22210 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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 | N/A |
Molecular Structure | Hazard Symbols | N/A | |
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 |
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
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. |
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 (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 .