439088-16-1

Name 1,5-Benzothiazepin-8-ol, 3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-5-phenyl-, 1,1-dioxide
CAS 439088-16-1
Molecular Formula C24H33NO3S2
Molecular Weight 447.65
MOL File 439088-16-1.mol
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Chemical Properties

Boiling point  622.7±55.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
pka 7.78±0.40(Predicted)
InChI InChI=1S/C24H33NO3S2/c1-4-6-13-24(14-7-5-2)17-25(19-11-9-8-10-12-19)20-15-22(29-3)21(26)16-23(20)30(27,28)18-24/h8-12,15-16,26H,4-7,13-14,17-18H2,1-3H3
InChIKey HXBVVCHHTCHIGN-UHFFFAOYSA-N
SMILES S1(=O)(=O)C2=CC(O)=C(SC)C=C2N(C2=CC=CC=C2)CC(CCCC)(CCCC)C1

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