| CAS Number | 2281-22-3 |
| Catalog Number | AG01ELWI(AGN-PC-0O81TQ) |
| Chemical Name | (2R)-2-amino-3-(prop-2-en-1-yldisulfanyl)propanoic acid |
| IUPAC Name | (2R)-2-amino-3-(prop-2-enyldisulfanyl)propanoic acid |
| InChI | InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1 |
| InChI Key | WYQZZUUUOXNSCS-YFKPBYRVSA-N |
| MDL Number | MFCD11983096 |
| Molecular Formula | C6H11NO2S2 |
| Molecular Weight | 193.2870 |
| SMILES | N[C@H](C(O)=O)CSSCC=C |
| Synonyms | S-allylmercaptocysteine,
SAMC cpd,
S-allylmercapto-L-cysteine,
s-allylmercaptocysteine,
SCHEMBL1158206,
WYQZZUUUOXNSCS-YFKPBYRVSA-N,
3-(prop-2-en-1-yldisulfanyl)-L-alanine,
(2R)-2-amino-3-(prop-2-en-1-yldisulfanyl)propanoic acid,
2281-22-3,
S-(Allylthio)-L-cysteine,
CID9794159,
2-amino-3-prop-2-enyldisulfanyl-propanoic Acid,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.279g/mol |
| Monoisotopic Mass | 193.023g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number