IUPAC Name: 1-Methyl-4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexane
Synonyms of S-2-((4-(4-Methylcyclohexyl)butyl)amino)ethyl thiosulfate (CAS NO.21209-02-9): 2-((4-(4-Methylcyclohexyl)butyl)amino)ethanethiol hydrogen sulfate (ester) ; Ethanethiol, 2-(4-(4-methylcyclohexyl)butyl)amino-, hydrogen sulfate (ester) ; Thiosulfuric acid (H2S2O3), S-(2-((4-(4-methylcyclohexyl)butyl)amino)ethyl) ester (9CI)
InChI: InChI=1/C13H27NO3S2/c1-12-5-7-13(8-6-12)4-2-3-9-14-10-11-18-19(15,16)17/h12-14H,2-11H2,1H3,(H,15,16,17)
CAS NO: 21209-02-9
Molecular Formula: C13H27NO3S2
Molecular Weight : 309.4884
Molecular Structure:
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 9
Polar Surface Area: 80.29 Å2
Index of Refraction: 1.517
Molar Refractivity: 82.17 cm3
Molar Volume: 271.3 cm3
Surface Tension: 44.6 dyne/cm
Density: 1.14 g/cm3
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 7mg/kg (7mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968. | |
mouse | LD50 | oral | 900mg/kg (900mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968. |
Poison by intraperitoneal route. Moderately toxic by ingestion. When S-2-((4-(4-Methylcyclohexyl)butyl)amino)ethyl thiosulfate (CAS NO.21209-02-9) is heated to decomposition, it emits very toxic fumes of NOx and SOx. See also THIOSULFATES.
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