Thieno[2,3-d]pyrimidine-6-carboxylicacid, 5-hydroxy-2-(methylthio)-, ethyl ester (200626-46-6)

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: 125.85Ų; (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