5588-16-9

Name 6-CHLORO-3,4-DIHYDRO-3-[(2-PROPENYLTHIO)METHYL]-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
CAS 5588-16-9
EINECS(EC#) 226-994-8
Molecular Formula C11H14ClN3O4S3
MDL Number MFCD00063558
Molecular Weight 383.89
MOL File 5588-16-9.mol

Chemical Properties

Melting point  206-207°
Boiling point  625.8±65.0 °C(Predicted)
density  1.502±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Practically insoluble in water, soluble in methanol, practically insoluble in dichloromethane.
form  neat
pka 8.33±0.40(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI 1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)
InChIKey VGLGVJVUHYTIIU-UHFFFAOYSA-N
SMILES NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl
EPA Substance Registry System 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[(2-propen-1-ylthio)methyl]-, 1,1-dioxide (5588-16-9)

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

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