| CAS Number | 1309040-01-4 |
| Catalog Number | AG01B874 |
| Chemical Name | (2R)-2-[2-(phenylsulfanyl)acetamido]propanoic acid |
| IUPAC Name | 2-[(2-phenylsulfanylacetyl)amino]propanoic acid |
| InChI | InChI=1S/C11H13NO3S/c1-8(11(14)15)12-10(13)7-16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | GGQHBMGKIUWBHB-UHFFFAOYSA-N |
| MDL Number | MFCD16050639 |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.2908 |
| SMILES | C[C@H](C(O)=O)NC(CSC1=CC=CC=C1)=O |
| Synonyms | (2R)-2-[2-(phenylsulfanyl)acetamido]propanoic acid,
1309040-01-4,
AKOS008985477,
2-[2-(phenylsulfanyl)acetamido]propanoic acid,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.289g/mol |
| Monoisotopic Mass | 239.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number