
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 299-89-8 |
| Catalog No. | 2A-9070706 |
| Chinese Name | 乙酰硫胺 |
| Synonyms | O,S-Diacetyl-thiamin; S,O-Diacetyl-thiamin; ACETIAMINE; DIALLYLTRPTAMINE; Thianeuron |
| Molecular Formula | C24H30N4S2 |
| Molecular Weight | 438.66 |
| Density | 1.271g/cm3 |
| Boiling Point | 595.3ºC at 760mmHg |
| PubChem ID | 10047867 |
| MDL Number | MFCD00983670 |
| SMILES | CC(=O)OCCC(SC(C)=O)=C(C)N(C=O)Cc1cnc(C)nc1N |
| InChI | InChI=1S/C16H22N4O4S/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19)/b15-10+ |
| InChI Key | ISIPQAHMLLFSFR-GDNBJRDFSA-N |
| MSDS | msds/70706_1_299_89_8.pdf |
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