587852-28-6

Name SMI-16a
CAS 587852-28-6
Molecular Formula C13H13NO3S
MDL Number MFCD31382191
Molecular Weight 263.31
MOL File 587852-28-6.mol

Chemical Properties

Melting point  186.3-188.4 °C
density  1.303±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,2-8°C
solubility  Ethanol:3.0(Max Conc. mg/mL);11.39(Max Conc. mM)
form  A solid
pka 7.27±0.20(Predicted)
color  Light yellow to yellow
InChI 1S/C13H13NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h3-6,8H,2,7H2,1H3,(H,14,15,16)
InChIKey GBWOSXZUTXXXQF-UHFFFAOYSA-N
SMILES S1C(=O)NC(=O)C1=Cc2ccc(cc2)OCCC

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

Supplier