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200626-46-6

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Basic Information
CAS No.: 200626-46-6
Name: 5-Hydroxy-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
Molecular Structure:
Molecular Structure of 200626-46-6 (5-Hydroxy-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester)
Formula: C10H10N2O3S2
Molecular Weight: 270.33
Synonyms: 5-Hydroxy-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester;
Density: 1.506 g/cm3
Boiling Point: 457.121 °C at 760 mmHg
Flash Point: 230.259 °C
PSA: 125.85000
LogP: 2.29550
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Specification

The CAS register number of 5-Hydroxy-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester is 200626-46-6. It also can be called as Thieno[2,3-d]pyrimidine-6-carboxylicacid, 5-hydroxy-2-(methylthio)-, ethyl ester and the systematic name about this chemical is (6Z)-6-[ethoxy(hydroxy)methylidene]-2-methylsulfanylthieno[2,3-d]pyrimidin-5-one.

Physical properties about 5-Hydroxy-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 1.502; (3)ACD/BCF (pH 5.5): 5.129; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 64.761; (6)ACD/KOC (pH 7.4): 1.263; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 125.85Å2; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 67.959 cm3; (13)Molar Volume: 179.526 cm3; (14)Polarizability: 26.941x10-24cm3; (15)Surface Tension: 79.508 dyne/cm; (16)Enthalpy of Vaporization: 74.471 kJ/mol; (17)Boiling Point: 457.121 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(c2cnc(nc2s1)SC)O
(2)InChI: InChI=1/C10H10N2O3S2/c1-3-15-9(14)7-6(13)5-4-11-10(16-2)12-8(5)17-7/h4,13H,3H2,1-2H3
(3)InChIKey: BVEKTTYQGDZSLL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H10N2O3S2/c1-3-15-9(14)7-6(13)5-4-11-10(16-2)12-8(5)17-7/h4,13H,3H2,1-2H3
(5)Std. InChIKey: BVEKTTYQGDZSLL-UHFFFAOYSA-N