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S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate

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Name

S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate

EINECS N/A
CAS No. 21208-99-1 Density 1.181g/cm3
PSA 100.08000 LogP 4.33430
Solubility N/A Melting Point N/A
Formula C12H25NO3S2 Boiling Point °Cat760mmHg
Molecular Weight 295.50 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 Molecular Structure of 21208-99-1 (2-(5-Cyclopentylpentyl)aminoethanethiol sulfate) Hazard Symbols N/A
Synonyms

N/A

 

S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate Chemical Properties

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

S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate Toxicity Data With Reference

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,

S-2-((5-Cyclopentylpentyl)amino)ethyl thiosulfate Safety Profile

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.

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