Ethanethioic acid,S-[2-(acetylamino)ethyl] ester supplier

Name
N,S-DIACETYLCYSTEAMINE
EINECS 215-821-1
CAS No. 1420-88-8
Article Data24
CAS DataBase
Density 1.114 g/cm³
Solubility
Melting Point 29-31 °C(lit.)
Formula C₆H₁₁NO₂S
Boiling Point 181-182 °C15 mm Hg(lit.)，316.1 °C at 760 mmHg
Molecular Weight 161.225
Flash Point 152.4 °C
Transport Information
Appearance white solid, powder crystals and/or chunks
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetamide,N-2-mercaptoethyl-, acetate (6CI);Acetic acid, thio-, S-ester withN-(2-mercaptoethyl)acetamide (7CI,8CI);Acetamide, N-(2-mercaptoethyl)-,acetate (ester) (8CI);N,S-Diacetylcysteamine;S-(2-Acetamidoethyl)thiolacetate;S-Acetyl-N-acetylcysteamine;
PSA 71.47000
LogP 0.79310

Ethanethioic acid,S-[2-(acetylamino)ethyl] ester Specification

The CAS registry number of Ethanethioic acid,S-[2-(acetylamino)ethyl] ester is 1420-88-8. This chemical is also named as N,S-Diacetylcysteamine. Its EINECS registry number is 215-821-1. In addition, its molecular formula is C₆H₁₁NO₂S and molecular weight is 161.22. Its systematic name and IUPAC name are the same which is called S-(2-acetamidoethyl) ethanethioat.

Physical properties about this chemical are: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.79; (8)ACD/KOC (pH 7.4): 17.79; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 41.49 cm³; (14)Molar Volume: 144.6 cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 1.114 g/cm³; (17)Flash Point: 152.4 °C; (18)Enthalpy of Vaporization: 55.74 kJ/mol; (19)Boiling Point: 316.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00042 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride, 2-amino-ethanethiol and hydrochloride. This reaction will need reagent aq. KOH. The reaction time is 1.5 hours with reaction temperature of 0 °C. The yield is about 96 %.

Ethanethioic acid,S-[2-(acetylamino)ethyl] ester can be prepared by acetic acid anhydride, 2-amino-ethanethiol and hydrochloride

Uses of Ethanethioic acid,S-[2-(acetylamino)ethyl] ester: it can be used to produce 2-acetylamino-ethanethiol at temperature of 20 °C. It will need reagent aq. KOH with reaction time of 45 mins.

Ethanethioic acid,S-[2-(acetylamino)ethyl] ester can be used to produce 2-acetylamino-ethanethiol

When you are using this chemical, please be cautious about it as the following:
Do not breathe dust of this chemical. You must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCCNC(=O)C)C
(2)InChI: InChI=1/C6H11NO2S/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8)
(3)InChIKey: UZLRPNHVKXCOHS-UHFFFAOYAW

Product Name

N,S-DIACETYLCYSTEAMINE

Ethanethioic acid,S-[2-(acetylamino)ethyl] ester Specification

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