Diethyl 2,2'-thiodiacetate supplier

Name
DIETHYL THIOGLYCOLATE 96
EINECS 213-117-9
CAS No. 925-47-3
Article Data40
CAS DataBase
Density 1.136 g/cm³
Solubility
Melting Point 69-72 °C(lit.)
Formula C₈H₁₄O₄S
Boiling Point 261.5 °C at 760 mmHg
Molecular Weight 206.263
Flash Point 111.8°C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, 2,2'-thiobis-, diethyl ester (9CI);Acetic acid, thiodi-, diethyl ester(6CI,7CI,8CI);Bis(carbethoxymethyl) sulfide;Diethyl thiodiglycolate;NSC 12576;
PSA 77.90000
LogP 0.84580

Diethyl 2,2'-thiodiacetate Specification

The Diethyl 2,2'-thiodiacetate with the cas number 925-47-3, is also called acetic acid, 2,2'-thiobis-, diethyl ester. Its molecular formula is C₈H₁₄O₄S. The EINECS registry number is 213-117-9. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.56; (6)ACD/BCF (pH 7.4): 33.56; (7)ACD/KOC (pH 5.5): 430.35; (8)ACD/KOC (pH 7.4): 430.35; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 77.9Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 50.65 cm³; (15)Molar Volume: 181.5 cm³; (16)Polarizability: 20.08×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Enthalpy of Vaporization: 49.93 kJ/mol; (19)Vapour Pressure: 0.0115 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of ethanol and sulfanediyl-bis-acetic acid.

This reaction needs reagent HCl.

Uses: This chemical can react with oxalic acid diethyl ester, to product 3,4-dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester.

This reaction needs reagent EtONa and solvent ethanol. The yield is 72%.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CSCC(=O)OCC
(2)InChI: InChI=1/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3

Product Name

DIETHYL THIOGLYCOLATE 96

Diethyl 2,2'-thiodiacetate Specification

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