S-Propylmercaptocysteine
PubChem CID: 192762
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| Compound Synonyms | 2280-26-4, S-Propylmercaptocysteine, s-propylmercapto-l-cysteine, S-Propylthio-L-cysteine, 3-(Propyldisulfanyl)alanine, 3-(Propyldisulfanyl)alanine #, SCHEMBL5003610, L-Alanine, 3-(propyldithio)-, DTXSID40945481, JVVXIPKJTDVPQZ-YFKPBYRVSA-N |
|---|---|
| Topological Polar Surface Area | 114.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-(propyldisulfanyl)propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.8 |
| Molecular Formula | C6H13NO2S2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JVVXIPKJTDVPQZ-YFKPBYRVSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -7.096 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.815 |
| Compound Name | S-Propylmercaptocysteine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 195.039 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.039 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 195.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2832158 |
| Inchi | InChI=1S/C6H13NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 |
| Smiles | CCCSSC[C@@H](C(=O)O)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients