7-ATCA
- Product Name7-ATCA
- CAS155723-02-7
- MFC13H13N3O3S2
- MW323.39
- EINECS1308068-626-2
- MOL File155723-02-7.mol
Chemical Properties
| Boiling point | 642.1±55.0 °C(Predicted) |
| Density | 1.59 |
| solubility | DMSO, Water |
| pka | 2.36±0.50(Predicted) |
| InChI | InChI=1S/C13H13N3O3S2/c1-6-8(21-5-15-6)3-2-7-4-20-12-9(14)11(17)16(12)10(7)13(18)19/h2-3,5,9,12H,4,14H2,1H3,(H,18,19)/b3-2-/t9-,12-/m1/s1 |
| InChIKey | SDEIKNWRVHSKQN-FSZPXCJPSA-N |
| SMILES | N12[C@@]([H])([C@H](N)C1=O)SCC(/C=C\C1SC=NC=1C)=C2C(O)=O |
