5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid

Chemical Properties

Melting point	145-146 °C(Solv: 1,2-dichloroethane (107-06-2))
Boiling point	517.4±50.0 °C(Predicted)
Density	1.34±0.1 g/cm3(Predicted)
storage temp.	2-8°C
solubility	Acetone (Slightly), DMSO (Slightly)
form	Solid
pka	4.09±0.10(Predicted)
color	Off-White
InChI	InChI=1S/C17H16O4S/c1-11(17(20)21)12-7-8-15(13(9-12)10-16(18)19)22-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,18,19)(H,20,21)
InChIKey	HCKQCCUGCHJSOS-UHFFFAOYSA-N
SMILES	C(C1C=C(C(C)C(=O)O)C=CC=1SC1C=CC=CC=1)C(=O)O

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