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21224-57-7

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Basic Information
CAS No.: 21224-57-7
Name: S-(2-{[4-(4-ethylphenyl)butyl]amino}ethyl) hydrogen sulfurothioate
Molecular Structure:
Molecular Structure of 21224-57-7 (S-(2-{[4-(4-ethylphenyl)butyl]amino}ethyl) hydrogen sulfurothioate)
Formula: C14H23NO3S2
Molecular Weight: 317.50
Density: 1.209g/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: 4.16900
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    S-2-((4-(p-ETHYLPHENYL)BUTYL)AMINO)-ETHYL THIOSULFATE

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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  • S-2-((4-(p-ETHYLPHENYL)BUTYL)AMINO)-ETHYL THIOSULFATE

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    21224-57-7

    S-2-((4-(p-ETHYLPHENYL)BUTYL)AMINO)-ETHYL THIOSULFATE

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

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

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.

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.