≥95% 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.
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)SCC(C(=O)O)N |
|---|---|
| IUPAC Name | (2R)-2-amino-3-phenylmethoxycarbonylsulfanylpropanoic acid |
| InChIKey | IAZGSEXFFGHKDF-VIFPVBQESA-N |
| INCHI | 1S/C11H13NO4S/c12-9(10(13)14)7-17-11(15)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)SC[C@@H](C(=O)O)N |
| PubChem CID | 193658 |
| Molecular Weight | 255.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives - Cysteine and derivatives |
| Direct Parent | L-cysteine-S-conjugates |
| Alternative Parents | L-alpha-amino acids Benzyloxycarbonyls Monothioacetals Organic thiocarbonic acid derivatives Organic carbonic acids and derivatives Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | L-cysteine-s-conjugate - L-alpha-amino acid - Benzyloxycarbonyl - Alpha-amino acid - Benzenoid - Monocyclic benzene moiety - Monothioacetal - Amino acid - Thiocarbonic acid derivative - Carbonic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated. |
| External Descriptors | Not available |
| Molecular Weight | 255.290 g/mol |
|---|---|
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 255.057 Da |
| Monoisotopic Mass | 255.057 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |
