4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxyacetic acid supplier

Name
Acetic acid, 2-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]-
EINECS
CAS No. 179087-93-5
Article Data2
CAS DataBase
Density 1.475 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁NO₅S
Boiling Point 540.7 °C at 760 mmHg
Molecular Weight 281.289
Flash Point 280.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[4-((2,4-Dioxothiazolidin-5-yl)methyl)phenoxy]acetic acid;Aceticacid, [4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]- (9CI);4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxyacetic acid;SB 271258;
PSA 118.00000
LogP 1.37290

4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxyacetic acid Specification

The Acetic acid,2-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]-, with the CAS registry number 179087-93-5, is also known as SB 271258. It belongs to the product category of Drug Intermediates. This chemical's molecular formula is C₁₂H₁₁NO₅S and molecular weight is 281.03. Its systematic name is called {4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}acetic acid.

Physical properties of Acetic acid,2-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]-: (1)ACD/LogP: 0.77; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Index of Refraction: 1.627; (10)Molar Refractivity: 67.64 cm³; (11)Molar Volume: 190.6 cm³; (12)Surface Tension: 66.3 dyne/cm; (13)Density: 1.475 g/cm³; (14)Flash Point: 280.8 °C; (15)Enthalpy of Vaporization: 86.13 kJ/mol; (16)Boiling Point: 540.7 °C at 760 mmHg; (17)Vapour Pressure: 1.6E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)SC1Cc2ccc(OCC(=O)O)cc2
(2)InChI: InChI=1/C12H11NO5S/c14-10(15)6-18-8-3-1-7(2-4-8)5-9-11(16)13-12(17)19-9/h1-4,9H,5-6H2,(H,14,15)(H,13,16,17)
(3)InChIKey: SXAASESEPRXRTR-UHFFFAOYAY

Product Name

Acetic acid, 2-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]-

4-(2,4-Dioxothiazolidin-5-ylmethyl)phenoxyacetic acid Specification

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