Usaf B-26
[1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium
Also Known As: Sympectothion|Ergotheine|Thiasine|Thioeine|Thioneine|L-Ergothioneine|l-Thioneine|ERGOTHIONEINE|Thiolhistidine-betaine|USAF B-26|L-Ergothionine hydrochloride|L-(+)-Ergothioneine|THIONEINE (D)|Histidine, trimethylbetaine|2 Thiol L histidine betaine|Histidine,N-dimethyl-, betaine|Ammonium, hydroxide, inner salt|Ammonium, hydroxide, inner salt, L-(+)-|[1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium|Ammonium, hydroxide, inner salt, hydrochloride, stereoisomer|[1-hydroxy-1-oxo-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]-trimethylazanium|3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethyl-5-azanyl)propanoic acid|1H-Imidazole-4-ethanaminium,3-dihydro-N,N,N-trimethyl-2-thioxo-, hydroxide, inner salt, (S)-|1H-Imidazole-4-ethanaminium,3-dihydro-N,N,N-trimethyl-2-thioxo-, hydroxide, inner salt, monohydrochloride, (S)-
| Molecular Formula | C9H16N3O2S+ |
|---|---|
| Molecular Weight | 230.09633 g/mol |
| LogP | 0.77419 |
| Topological Polar Surface Area | 68.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.09633 |
| Monoisotopic Mass | 230.09633 |
| Heavy Atoms | 15 |
| Complexity | 401.98022 |
Chemical Identifiers
| CAS Number | 6072-08-8 |
|---|---|
| SMILES | C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O |
Product Overview
Usaf B-26 (CAS 6072-08-8), with molecular formula C9H16N3O2S+ and molecular weight 230.09633 g/mol. IUPAC: [1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium.
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