Name: N-(2-MERCAPTOETHYL)ACETAMIDE
SKU: 1190-73-4

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Basic Information

Molecular Structure:
CAS No.:	1190-73-4
Name:	N-(2-MERCAPTOETHYL)ACETAMIDE
Article Data:	8

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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Specification

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.

Acetamide,N-(2-mercaptoethyl)- can be prepared by acetyl chloride and 2-amino-ethanethiol

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%.

Acetamide,N-(2-mercaptoethyl)- can react with 1-fluoro-2,4-dinitro-benzene to produce N-[2-(2,4-dinitro-phenylsulfanyl)-ethyl]-acetamide

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.