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111874-19-2

Basic Information
CAS No.: 111874-19-2
Name: Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate
Molecular Structure:
Molecular Structure of 111874-19-2 (Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate)
Formula: C8H11NO2S2
Molecular Weight: 217.313
Synonyms: Ethyl2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate;2,3-Dihydro-4-methyl-2-thioxo-5-thiazoleacetic acid ethyl ester;
Density: 1.275 g/cm3
Melting Point: 111-112 °C(Solv: ethanol (64-17-5))
Boiling Point: 321.9 °C at 760 mmHg
Flash Point: 148.5 °C
PSA: 106.23000
LogP: 1.84580
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  • Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate  CAS NO.111874-19-2

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  • Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate

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    111874-19-2

    Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate

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  • Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate

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    Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

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  • Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate

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    111874-19-2

    Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate

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    1.We are specializing in providing customers with complete chemical raw materials.2.Superior quality, moderate price & quick delivery.3. Extensive international cooperation experience.4. Outstanding communication skills. Application:contact us for de

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  • 5-Thiazoleacetic acid,2,3-dihydro-4-methyl-2-thioxo-, ethyl ester

  • Casno:

    111874-19-2

    5-Thiazoleacetic acid,2,3-dihydro-4-methyl-2-thioxo-, ethyl ester

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    YUYONGMEI was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well-equipped synthetic laboratory a

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  • ethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate

  • Casno:

    111874-19-2

    ethyl 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetate

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Specification

The IUPAC name of Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate is ethyl (4-methyl-2-sulfanyl-1,3-thiazol-5-yl)acetate. With the CAS registry number 111874-19-2, it is also named as 2,3-Dihydro-4-methyl-2-thioxo-5-thiazoleacetic acid ethyl ester. In addition, its molecular formula is C8H11NO2S2 and molecular weight is 217.31.

The other characteristics of Ethyl 2-(2-mercapto-4-methyl-1,3-thiazol-5-yl)acetate can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.19; (8)ACD/KOC (pH 7.4): 4.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 106.23 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 56.31 cm3; (15)Molar Volume: 170.3 cm3; (16)Polarizability: 22.32×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.275 g/cm3; (19)Flash Point: 148.5 °C; (20)Enthalpy of Vaporization: 56.37 kJ/mol; (21)Boiling Point: 321.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000289 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc1nc(S)sc1CC(=O)OCC
(2)InChI: InChI=1/C8H11NO2S2/c1-3-11-7(10)4-6-5(2)9-8(12)13-6/h3-4H2,1-2H3,(H,9,12)
(3)InChIKey: KXYFIGWXAKGWMU-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H11NO2S2/c1-3-11-7(10)4-6-5(2)9-8(12)13-6/h3-4H2,1-2H3,(H,9,12)
(5)Std. InChIKey: KXYFIGWXAKGWMU-UHFFFAOYSA-N