1239233-86-3

Name 2-[3-(AMinocarbonyl)-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylic Acid
CAS 1239233-86-3
Molecular Formula C16H18N2O4S
MDL Number MFCD28138169
Molecular Weight 334.39
MOL File 1239233-86-3.mol
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Chemical Properties

Melting point  225-228°C
Boiling point  538.9±60.0 °C(Predicted)
density  1.291±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 1.22±0.37(Predicted)
color  White to Off-White
InChI InChI=1S/C16H18N2O4S/c1-8(2)7-22-12-5-4-10(6-11(12)14(17)19)15-18-9(3)13(23-15)16(20)21/h4-6,8H,7H2,1-3H3,(H2,17,19)(H,20,21)
InChIKey ITMGNZBRUWAGOZ-UHFFFAOYSA-N
SMILES S1C(C(O)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C(N)=O)=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319
Precautionary statements  P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

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