[R-(R*,S*)]-S-(3-amino-3-carboxypropyl)-S-methylsulphoximide (CAS 21752-31-8) — formula C5H12N2O3S, molecular weight 180.23; category organic chemicals.
| CAS Number | 21752-31-8 |
|---|---|
| Molecular Formula | C5H12N2O3S |
| Molecular Weight | 180.23 |
| LogP | -1.8 |
| Category | Organic Chemicals |
[R-(R*,S*)]-S-(3-amino-3-carboxypropyl)-S-methylsulphoximide is a carbon-based organic compound with CAS registry number 21752-31-8 and molecular formula C5H12N2O3S (molecular weight 180.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21752-31-8
Its molecular formula C5H12N2O3S comprises 5 C, 12 H, 2 N, 3 O, 1 S atoms.
Also known as: [R-(R*,S*)]-S-(3-amino-3-carboxypropyl)-S-methylsulphoximide · L-甲硫氨酸 [R]-磺酰亚胺
Category: organic chemicals
The CAS registry number of [R-(R*,S*)]-S-(3-amino-3-carboxypropyl)-S-methylsulphoximide is 21752-31-8.
Molecular formula C5H12N2O3S, molecular weight 180.23.
It is also registered under: [R-(R*,S*)]-S-(3-amino-3-carboxypropyl)-S-methylsulphoximide, L-甲硫氨酸 [R]-磺酰亚胺.
Category: Organic Chemicals.
Independent reference data for [R-(R*,S*)]-S-(3-amino-3-carboxypropyl)-S-methylsulphoximide (CAS 21752-31-8), compiled from public chemistry databases.
| CAS 号 | 21752-31-8 |
|---|---|
| PubChem CID | 89034 |
| 分子式 | C5H12N2O3S |
| IUPAC 名称 | (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid |
| UNII（FDA） | M9P6YZ6JX9 |
| Molecular Weight | 180.23 |
|---|---|
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 180.05686342 |
| Monoisotopic Mass | 180.05686342 |
| Topological Polar Surface Area | 113 |
| Heavy Atom Count | 11 |
| Collision Cross Section | 137 Ų [M+H]+ |
|---|---|
| Collision Cross Section | 136.4 Ų [M-H]- |
| Collision Cross Section | 138.2 Ų [M+Na]+ |
L-Methionine sulfoximine; 15985-39-4; (2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid; L-Methionine-S,R-sulfoximine; Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-, (2S)-; M9P6YZ6JX9; CHEBI:28490; DTXSID30936181; METHIONINE-DL-SULFOXIMINE, L-; Butanoic acid, 2-amino-4-(S-methylsufonimidoyl)-, (2S)-; (2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid; DTXSID201031266; Sulfoximine, Methionine; Butanoic acid, 2-amino-4-(S-methylsulfonimidoyl)-; Methionine-rs-sulfoximine, L-; CCRIS 5096
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (100%) |
|---|
L-甲硫氨酸 [R]-磺酰亚胺 · CAS 21752-31-8 · C5H12N2O3S. UNII M9P6YZ6JX9. Collision Cross Section: 137 Ų [M+H]+; Collision Cross Section: 136.4 Ų [M-H]-; Collision Cross Section: 138.2 Ų [M+Na]+.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: L-甲硫氨酸 [R]-磺酰亚胺