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6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid Structure

6-tert-butyl-2-(furan-2-carboxaMido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid

Chemical Properties

Boiling point 429.7±45.0 °C(Predicted)
Density  1.305±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble20mg/mL, clear
pka 4.49±0.40(Predicted)
form  powder
color  white to beige
InChI 1S/C18H21NO4S/c1-18(2,3)10-6-7-11-13(9-10)24-16(14(11)17(21)22)19-15(20)12-5-4-8-23-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKey ACLUEOBQFRYTQS-UHFFFAOYSA-N
SMILES [s]1c2c(c(c1NC(=O)c3[o]ccc3)C(=O)O)CCC(C2)C(C)(C)C

Safety Information

WGK Germany  3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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