89605-09-4

Name (S)-2-Benzothiazolyl (Z)-2-(2-aminothiazole-4-yl)-2-methoxycarbonylmethoxyiminothioacetate
CAS 89605-09-4
Molecular Formula C15H12N4O4S3
MDL Number MFCD09031261
Molecular Weight 408.48
MOL File 89605-09-4.mol

Chemical Properties

Melting point  102 - 104°C
Boiling point  617.9±61.0 °C(Predicted)
density  1.49±0.1 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly)
form  Solid
pka 0.89±0.10(Predicted)
color  Orange
Stability: Unstable in Aqueous Solution
InChI InChI=1S/C18H18N4O4S3/c1-18(2,3)26-13(23)8-25-22-14(11-9-27-16(19)20-11)15(24)29-17-21-10-6-4-5-7-12(10)28-17/h4-7,9H,8H2,1-3H3,(H2,19,20)/b22-14-
InChIKey KVKDHRUVQQPKCW-HMAPJEAMSA-N
SMILES C(OC(C)(C)C)(=O)CO/N=C(/C1=CSC(N)=N1)\C(SC1=NC2=CC=CC=C2S1)=O
CAS DataBase Reference 89605-09-4(CAS DataBase Reference)

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