Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504767814 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767814 |
| Canonical Smiles | C1=CC(=CC=C1[N+](=O)[O-])SCC(C(=O)O)N |
| IUPAC Name | (2R)-2-amino-3-(4-nitrophenyl)sulfanylpropanoic acid |
| InChIKey | WXMIOWSCOYJQOT-QMMMGPOBSA-N |
| INCHI | 1S/C9H10N2O4S/c10-8(9(12)13)5-16-7-3-1-6(2-4-7)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Isomeric SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC[C@@H](C(=O)O)N |
| PubChem CID | 15298820 |
| Molecular Weight | 242.25 |
| Reaxy-Rn | 2563403 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Specific Rotation[α] | 58° (C=1.25,1mol/L HCl) |
|---|---|
| Molecular Weight | 242.250 g/mol |
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 242.036 Da |
| Monoisotopic Mass | 242.036 Da |
| Topological Polar Surface Area | 134.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |