7499-96-9

Name Butylbenisothiazolene
CAS 7499-96-9
Molecular Formula C11H13NO3S
MDL Number MFCD00807755
Molecular Weight 239.29
MOL File 7499-96-9.mol

Chemical Properties

Melting point  39.5-40.2 °C
Boiling point  121-128 °C(Press: 0.06 Torr)
density  1.305±0.06 g/cm3(Predicted)
pka -12.87±0.20(Predicted)
InChI InChI=1S/C11H13NO3S/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)16(12,14)15/h4-7H,2-3,8H2,1H3
InChIKey OVHVVWXDKDMZQA-UHFFFAOYSA-N
SMILES S1(=O)(=O)C2=C(C=CC=C2)C(=O)N1CCCC

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