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900515-16-4

Basic Information
CAS No.: 900515-16-4
Name: 5-[[5-(4-Fluoro-2-hydroxyphenyl)-2-furanyl]methylene]-2,4-thiazolidinedione
Molecular Structure:
Molecular Structure of 900515-16-4 (5-[[5-(4-Fluoro-2-hydroxyphenyl)-2-furanyl]methylene]-2,4-thiazolidinedione)
Formula: C14H8FNO4S
Molecular Weight: 305.286
Synonyms: AS 252424;(5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione;
Density: 1.56 g/cm3
PSA: 104.84000
LogP: 3.44400
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Specification

The AS 252424, with the cas registry number 900515-16-4, has the systematic name of (5Z)-5-{[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione. And the molecular formula of the chemical is C14H8FNO4S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5 ; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 104.84 Å2; (7)Index of Refraction: 1.692; (8)Molar Refractivity: 75.016 cm3; (9)Molar Volume: 195.726 cm3; (10)Polarizability: 29.739×10-24cm3; (11)Surface Tension: 66.595 dyne/cm; (12)Density: 1.56 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1C(\SC(=O)N1)=C\c3oc(c2ccc(F)cc2O)cc3
(2)InChI: InChI=1/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-
(3)InChIKey: OYYVWNDMOQPMGE-SDQBBNPIBB