165668-41-7

Name Indisulam
CAS 165668-41-7
Molecular Formula C14H12ClN3O4S2
MDL Number MFCD00945325
Molecular Weight 385.85
MOL File 165668-41-7.mol

Chemical Properties

Melting point  242-243 °C (decomp)(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling point  668.9±65.0 °C(Predicted)
density  1.663±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO : 100 mg/mL (259.17 mM; Need ultrasonic)
form  powder
pka 8.14±0.30(Predicted)
color  white to beige
InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKey SETFNECMODOHTO-UHFFFAOYSA-N
SMILES C1(S(NC2C3=C(C=CC=2)C(Cl)=CN3)(=O)=O)=CC=C(S(N)(=O)=O)C=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Hazard Information

Spectrum Detail

Supplier