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| Name |
S-2-((4-(p-Ethylphenyl)butyl)amino)ethyl thiosulfate |
EINECS | N/A |
| CAS No. | 21224-57-7 | Density | 1.209g/cm3 |
| PSA | 100.08000 | LogP | 4.16900 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H23NO3S2 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 317.50 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOSULFATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
S-2-((4-(p-Ethylphenyl)butyl)amino)ethyl thiosulfate Chemical Properties
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: .png)
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
S-2-((4-(p-Ethylphenyl)butyl)amino)ethyl thiosulfate Toxicity Data With Reference
| 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. |
S-2-((4-(p-Ethylphenyl)butyl)amino)ethyl thiosulfate Safety Profile
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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