2730-71-4
| Name | thiocolchicine |
| CAS | 2730-71-4 |
| EINECS(EC#) | 220-346-8 |
| Molecular Formula | C22H25NO5S |
| MDL Number | MFCD01736965 |
| Molecular Weight | 415.5 |
| MOL File | 2730-71-4.mol |
Chemical Properties
| Melting point | 193℃ |
| alpha | D20 -221° |
| Boiling point | 729.1±60.0 °C(Predicted) |
| density | 1.27±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO: soluble10mg/mL, clear |
| form | powder |
| pka | 14.75±0.40(Predicted) |
| color | white to beige |
| InChI | 1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1 |
| InChIKey | CMEGANPVAXDBPL-INIZCTEOSA-N |
| SMILES | S(C)c1[c](cc2c(cc1)c3c(cc(c(c3OC)OC)OC)CC[C@@H]2NC(=O)C)=O |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1544PSN1 6.1 / PGI |
| WGK Germany | 3 |
| REACH Registrations | Active |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 1 Inhalation Acute Tox. 2 Oral Eye Dam. 1 Muta. 1B |