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53554-29-3

Basic Information
CAS No.: 53554-29-3
Name: 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
Article Data: 15
Molecular Structure:
Molecular Structure of 53554-29-3 (1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER)
Formula: C8H10N2O3S
Molecular Weight: 214.245
Synonyms: 5-Pyrimidinecarboxylicacid, 1,4-dihydro-2-(methylthio)-4-oxo-, ethyl ester (9CI);5-Pyrimidinecarboxylic acid, 4-hydroxy-2-(methylthio)-, ethyl ester (6CI);2-Methylmercapto-4-hydroxy-5-carbethoxypyrimidine;4-Hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester;4-Hydroxy-2-methylthiopyrimidine-5-carboxylic acid ethyl ester;Ethyl2S-methyl-4-hydroxypyrimidine-5-carboxylate;NSC 104155;NSC 43816;
Density: 1.37g/cm3
Melting Point: 136-144°C
Boiling Point: 340.4 °C at 760 mmHg
Flash Point: 159.7 °C
Hazard Symbols: Xi
PSA: 97.61000
LogP: 1.08080
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    Good Quality Package:1kg/bag Application:Medical or chemical Transportation:Air/Train/Sea Port:Shenzhen

    Shanghai Chinqesen Biotechnology Co., Ltd. Company slogan:Innovation, cooperation and win-win Company introduction:Shanghai Chinqesen Biotechnology Co., Ltd. is a professional phar

  •  Shanghai Chinqesen Biotechnology Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+8617316470195

    Address:333 Songze Avenue, Qingpu District, Shanghai

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  • 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER

  • Casno:

    53554-29-3

    1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    1, High quality with competitive price:2, Fast and safe delivery3.Excellent pre-sales and after-sales service4. Well-trained and professional technologist and sales with rich experience in the field for 5-10years Storage:Room temperature storage Pack

    Chongqing Ihlen Biotechnology Co., LTD., located in the first economic and technological development zone in Southwest China, is a young company mainly engaged in the research, dev

  •  Chongqing Ihlen Biotechlogy Co.,Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:13308389250

    Address:chongqing

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  • ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate

  • Casno:

    53554-29-3

    ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    R & D enterprises have their own stock in stockAppearance:To be subject to the object Package:Customized Application:pharmaceutical intermediates Transportation:Air Port:Shanghai;Guangzhou

    Hunan Runhui Chem Co., Ltd. is a comprehensive Fine chemicals and Pharmaceuticals Intermediates supplier in China , Established in 2018 and located in Changsha City of Hunan provi

  •  Hunan Longxianng Runhui Trading Co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-731-85570686

    Address:29 Floor,Changsheng Upper Strata,Furong District,China

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  • ethyl 4-hydroxy-2-methylthio-pyrimidine-5-carboxylate

  • Casno:

    53554-29-3

    ethyl 4-hydroxy-2-methylthio-pyrimidine-5-carboxylate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Luhan Pharmachem Co., Ltd. owns strong elite professional quality sales force, has the customer base from the US, Europe, Japan, Southeast Asia, Korea, Hong Kong, Taiwan and other countries and regions, the company operates in accordance with the mod

    Luhan Pharmachem Co., Ltd. owns strong elite professional quality sales force, has the customer base from the US, Europe, Japan, Southeast Asia, Korea, Hong Kong, Taiwan and other

  •  Luhan Pharmachem Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:+86-871-65110906

    Address:Room702, Building 2, 365 Dianchi Road, Kunming, Yunnan Province, P.R. China

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Specification

The 5-Pyrimidinecarboxylicacid, 1,6-dihydro-2-(methylthio)-6-oxo-, ethyl ester, with CAS registry number 53554-29-3, has the systematic name of ethyl 2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidine-5-carboxylate. Besides this, it is also called 1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidine-carboxylate acid ethyl ester. And the chemical formula of this chemical is C8H10N2O3S.

Physical properties of 5-Pyrimidinecarboxylicacid, 1,6-dihydro-2-(methylthio)-6-oxo-, ethyl ester: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 7.42; (6)ACD/BCF (pH 7.4): 2.93; (7)ACD/KOC (pH 5.5): 142.08; (8)ACD/KOC (pH 7.4): 56.05; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 84.27 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 53.5 cm3; (15)Molar Volume: 156.1 cm3; (16)Polarizability: 21.21×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 159.7 °C; (20)Enthalpy of Vaporization: 60.71 kJ/mol; (21)Boiling Point: 340.4 °C at 760 mmHg; (22)Vapour Pressure: 4.37E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C(=C\N=C(\SC)N1)C(=O)OCC
(2)InChI: InChI=1/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)
(3)InChIKey: HDIWKNXVBQPJCO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)
(5)Std. InChIKey: HDIWKNXVBQPJCO-UHFFFAOYSA-N