64838-55-7
| Name | (2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline |
| CAS | 64838-55-7 |
| EINECS(EC#) | 265-250-7 |
| Molecular Formula | C11H17NO4S |
| MDL Number | MFCD00792449 |
| Molecular Weight | 259.32 |
| MOL File | 64838-55-7.mol |
Chemical Properties
| Appearance | white fine powder |
| Melting point | 76-82 °C(lit.) |
| alpha | -158 º (c=1, MeOH) |
| Boiling point | 464.8±40.0 °C(Predicted) |
| density | 1.291±0.06 g/cm3(Predicted) |
| refractive index | -160 ° (C=1, MeOH) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | neat |
| pka | 3.56±0.20(Predicted) |
| color | White |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/p-1/t7-,9+/m1/s1 |
| InChIKey | ZNQRGUYIKSRYCI-APPZFPTMSA-M |
| SMILES | S(C[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)[O-])C(=O)C |
| CAS DataBase Reference | 64838-55-7(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 2933.99.9701 |
| REACH Registrations | Active |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Repr. 2 Skin Sens. 1 STOT RE 1 Oral |