Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: S-Methyl-L-cysteine sulfoxide
CAS No.: 6853-87-8
Molecular formula: C4H9NO3S
Molecular weight: 151.19 g/mol
SMILES: CS(=O)CC(C(=O)O)N
Structural class:
Other identifiers:

kale anemia factor

methiin

methiin, (DL-Ala)-isomer

methiin, (L-Ala)-(R)-isomer

methiin, (L-Ala)-(S)-isomer

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 100mg Purity≥97% 640 2-8℃ in stock -
Kehua Intelligence 1g ≥97% 352 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure


4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R)-2-amino-3-methylsulfinylpropanoic acid


4.2 InChI

InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1


4.3 InChIKey

ZZLHPCSGGOGHFW-BUKSALPDSA-N


4.4 Canonical SMILES

CS(=O)CC(C(=O)O)N


4.5 Isomeric SMILES

CS(=O)C[C@@H](C(=O)O)N

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon