S-(Allylthio)-L-cysteine
PubChem CID: 9837024
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | S-(Allylthio)-L-cysteine, 2-amino-3-(prop-2-enyldisulfanyl)propanoic acid, 2-amino-3-(prop-2-en-1-yldisulfanyl)propanoic acid, SCHEMBL4543471, CHEBI:178337, CAA28122, 2-Amino-3-(prop-2-en-1-yldisulfanyl)propanoate, 2-amino-3-(prop-2-enyldisulanyl)propanoic acid, 2-Amino-3-(prop-2-en-1-yldisulphanyl)propanoate, 2-Amino-3-(prop-2-en-1-yldisulphanyl)propanoic acid |
|---|---|
| Topological Polar Surface Area | 114.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Description | Isolated from garlic (Allium sativum). Potential nutriceutical. S-(Allylthio)-L-cysteine is found in garlic and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-(prop-2-enyldisulfanyl)propanoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | -2.0 |
| Is Pains | False |
| Molecular Formula | C6H11NO2S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYQZZUUUOXNSCS-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 6.0 |
| Synonyms | S-(Allylthio)cysteine, L-form |
| Compound Name | S-(Allylthio)-L-cysteine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 193.023 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 193.023 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 193.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6427834 |
| Inchi | InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9) |
| Smiles | C=CCSSCC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients