2-methylthioadenosine
- Product Name2-methylthioadenosine
- CAS4105-39-9
- CBNumberCB31320993
- MFC11H15N5O4S
- MW313.33
- MDL NumberMFCD07368402
- MOL File4105-39-9.mol
Chemical Properties
| Melting point: | 225 °C |
| Boiling point: | 747.6±70.0 °C(Predicted) |
| Density | 1.98±0.1 g/cm3(Predicted) |
| pka | 13.08±0.70(Predicted) |
| form | Solid |
| color | White to off-white |
| InChI | InChI=1S/C11H15N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | AJNDEAZTAFKOOO-KQYNXXCUSA-N |
| SMILES | OC[C@H]1O[C@@H](N2C3C(=C(N=C(SC)N=3)N)N=C2)[C@H](O)[C@@H]1O |