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CAS No.: | 1190-73-4 |
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Name: | N-(2-MERCAPTOETHYL)ACETAMIDE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C4H9NOS |
Molecular Weight: | 119.188 |
Synonyms: | Acetylcysteamine;NSC 38835;2-Acetamidoethanethiol;N-(2-Mercaptoethyl)acetamide;N-(b-Mercaptoethyl)acetamide;N-Acetyl-2-mercaptoethylamine;N-Acetyl-b-mercaptoethylamine;N-Acetylcysteamine;N-Acetylmercaptoethylamine;acetamide, N-(2-mercaptoethyl)-;N-(2-Sulfanylethyl)acetamide;N-acetyl cysteamine; |
Density: | 1.04 g/cm3 |
Melting Point: | 6-7 °C(lit.) |
Boiling Point: | 284.9 °C at 760 mmHg |
Flash Point: | 132.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 67.90000 |
LogP: | 0.44320 |
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The Acetamide,N-(2-mercaptoethyl)-, with the CAS registry number 1190-73-4, has the systematic name and IUPAC name of N-(2-sulfanylethyl)acetamide. It is also known as N-acetyl cysteamine. And the molecular formula of this chemical is C4H9NOS.
The physical properties of Acetamide,N-(2-mercaptoethyl)- are as following: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.23; (8)ACD/KOC (pH 7.4): 15.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.61 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 32.1 cm3; (15)Molar Volume: 114.5 cm3; (16)Polarizability: 12.72×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 132.6 °C; (20)Enthalpy of Vaporization: 52.39 kJ/mol; (21)Boiling Point: 284.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00289 mmHg at 25°C.
Preparation of Acetamide,N-(2-mercaptoethyl)-: This chemical can be prepared by acetyl chloride and 2-amino-ethanethiol. The reaction will need reagent chloroform.
Uses of Acetamide,N-(2-mercaptoethyl)-: It can react with 1-fluoro-2,4-dinitro-benzene to produce N-[2-(2,4-dinitro-phenylsulfanyl)-ethyl]-acetamide. This reaction will need reagent sodium carbonate, and the solvent H2O. And the yield is about 93%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCS)C
(2)InChI: InChI=1/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
(3)InChIKey: AXFZADXWLMXITO-UHFFFAOYAZ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | Radiation Research. Vol. 7, Pg. 13, 1957. | |
mouse | LD50 | subcutaneous | 369mg/kg (369mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 225, Pg. 428, 1955. |