IUPAC Name: 1-Ethyl-4-[4-(2-sulfosulfanylethylamino)butyl]benzene
Synonyms of S-2-((4-(p-Ethylphenyl)butyl)amino)ethyl thiosulfate (CAS NO.21224-57-7): S-2-((4-(p-Ethylphenyl)butyl)amino)ethyl thiosulfate ; Ethanethiol, 2-(4-(p-ethylphenyl)butyl)amino-, hydrogen sulfate (ester)
InChI: InChI=1/C14H23NO3S2/c1-2-13-6-8-14(9-7-13)5-3-4-10-15-11-12-19-20(16,17)18/h6-9,15H,2-5,10-12H2,1H3,(H,16,17,18)
CAS NO: 21224-57-7
Molecular Formula: C14H23NO3S2
Molecular Weight : 317.4673
Molecular Structure:
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 10
Polar Surface Area: 80.29Å2
Index of Refraction: 1.567
Molar Refractivity: 85.81 cm3
Molar Volume: 262.4 cm3
Surface Tension: 50 dyne/cm
Density: 1.209 g/cm3
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 15mg/kg (15mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968. | |
mouse | LD50 | oral | 1gm/kg (1000mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968. |
Poison by intraperitoneal route. Moderately toxic by ingestion. When S-2-((4-(p-Ethylphenyl)butyl)amino)ethyl thiosulfate (CAS NO.21224-57-7) is heated to decomposition, it emits very toxic fumes of NOx and SOx. See also THIOSULFATES.
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