Product Name

  • Name

    5-Hydroxy-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester

  • EINECS
  • CAS No. 200626-46-6
  • Density 1.506 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H10N2O3S2
  • Boiling Point 457.121 °C at 760 mmHg
  • Molecular Weight 270.33
  • Flash Point 230.259 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 200626-46-6 (5-Hydroxy-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester)
  • Hazard Symbols
  • Synonyms 5-Hydroxy-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester;
  • PSA 125.85000
  • LogP 2.29550

5-Hydroxy-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester 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

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View