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

1. Primary Information

English name: S-Allylcysteine
CAS No.: 21593-77-1
Molecular formula: C6H11NO2S
Molecular weight: 161.22 g/mol
SMILES: C=CCSCC(C(=O)O)N
Structural class:
Other identifiers:

allyl cysteine

S-2-propenyl-L-cysteine

S-allylcysteine

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 20mg HPLC≥98% 904 2-8℃ in stock -
Kehua Intelligence 250mg 97% 64 2-8℃ in stock -
Kehua Intelligence 1g 97% 144 2-8℃ in stock -
Kehua Intelligence 5g 97% 440 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-prop-2-enylsulfanylpropanoic acid


4.2 InChI

InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1


4.3 InChIKey

ZFAHNWWNDFHPOH-YFKPBYRVSA-N


4.4 Canonical SMILES

C=CCSCC(C(=O)O)N


4.5 Isomeric SMILES

C=CCSC[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