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CAS No.: | 21208-99-1 |
---|---|
Name: | 2-(5-Cyclopentylpentyl)aminoethanethiol sulfate |
Molecular Structure: | |
Formula: | C12H25NO3S2 |
Molecular Weight: | 295.50 |
Density: | 1.181g/cm3 |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
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. |
PSA: | 100.08000 |
LogP: | 4.33430 |
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IUPAC Name: 5-(2-Sulfosulfanylethylamino)pentylcyclopentane
Synonyms of S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate (CAS NO.21208-99-1): 2-((5-Cyclopentylpentyl)amino)ethanethiol hydrogen sulfate (ester) ; Ethanethiol, 2-(5-cyclopentylpentyl)amino-, hydrogen sulfate (ester)
InChI: InChI=1/C12H25NO3S2/c14-18(15,16)17-11-10-13-9-5-1-2-6-12-7-3-4-8-12/h12-13H,1-11H2,(H,14,15,16)
CAS NO: 21208-99-1
Molecular Formula: C12H25NO3S2
Molecular Weight : 295.4618
Molecular Structure:
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 10
Polar Surface Area: 80.29 Å2
Index of Refraction: 1.532
Molar Refractivity: 77.56 cm3
Molar Volume: 250.1 cm3
Surface Tension: 48.9 dyne/cm
Density: 1.181 g/cm3
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968. | |
mouse | LD50 | oral | 800mg/kg (800mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, |
Poison by intraperitoneal route. Moderately toxic by ingestion. When S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate (CAS NO.21208-99-1) is heated to decomposition, it emits very toxic fumes of NOx and SOx. See also THIOSULFATES.