701947-53-7
| Name | 3,5-dimethyl PIT-1 |
| CAS | 701947-53-7 |
| Molecular Formula | C16H15N3O4S |
| Molecular Weight | 345.37 |
| MOL File | 701947-53-7.mol |
Chemical Properties
| storage temp. | +2C to +8C |
| solubility | DMF:30.0(Max Conc. mg/mL);86.86(Max Conc. mM) DMF:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.45(Max Conc. mM) DMSO:20.0(Max Conc. mg/mL);57.91(Max Conc. mM) Ethanol:0.2(Max Conc. mg/mL);0.58(Max Conc. mM) |
| form | Off-white powder |
| color | off-white |
| InChI | 1S/C16H15N3O4S/c1-9-5-10(2)7-11(6-9)15(21)18-16(24)17-13-8-12(19(22)23)3-4-14(13)20/h3-8,20H,1-2H3,(H2,17,18,21,24) |
| InChIKey | CGWBCAQMXJFWBU-UHFFFAOYSA-N |
| SMILES | OC(C=CC([N+]([O-])=O)=C1)=C1NC(NC(C2=CC(C)=CC(C)=C2)=O)=S |