Ergothioneine (CAS 497-30-3) — formula C9H16N3O2S+, molecular weight 230.31.
| CAS Number | 497-30-3 |
|---|---|
| Molecular Formula | C9H16N3O2S+ |
| Molecular Weight | 230.31 |
| LogP | -0.3 |
Ergothioneine is a chemical compound with CAS registry number 497-30-3 and molecular formula C9H16N3O2S+ (molecular weight 230.31).
CAS number: 497-30-3
Its molecular formula C9H16N3O2S+ comprises 9 C, 16 H, 3 N, 2 O, 1 S atoms.
Also known as: Ergothioneine · 麦角硫因
The CAS registry number of Ergothioneine is 497-30-3.
Molecular formula C9H16N3O2S+, molecular weight 230.31.
It is also registered under: Ergothioneine, 麦角硫因.
Independent reference data for Ergothioneine (CAS 497-30-3), compiled from public chemistry databases.
| CAS Registry Number | 497-30-3 |
|---|---|
| PubChem CID | 3032312 |
| Molecular formula | C9H16N3O2S+ |
| IUPAC name | [1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium |
| UNII (FDA) | NS00015041 |
| Molecular Weight | 230.31 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 230.09632294 |
| Monoisotopic Mass | 230.09632294 |
| Topological Polar Surface Area | 93.5 |
| Heavy Atom Count | 15 |
USAF B-26; [1-carboxy-2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)ethyl]-trimethylazanium; Thioeine; NSC7175; THIONEINE (D); Histidine, trimethylbetaine; SCHEMBL175156; Histidine,N-dimethyl-, betaine; SCHEMBL7254628; CHEMBL2004102; SCHEMBL19571061; NSC118378; Ammonium, hydroxide, inner salt, L-(+)-; NS00015041; Ammonium, hydroxide, inner salt, hydrochloride, stereoisomer; 3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethyl-5-azanyl)propanoic acid
Ergothioneine · CAS 497-30-3 · C9H16N3O2S+. UNII NS00015041.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 麦角硫因