≥97% 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 | 488196066 |
|---|---|
| Canonical Smiles | CC1=C(C=C(C=C1)CSCC(C(=O)O)NC(=O)OC(C)(C)C)C |
| IUPAC Name | (2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChIKey | AYUOVKILVZAKFO-AWEZNQCLSA-N |
| INCHI | 1S/C17H25NO4S/c1-11-6-7-13(8-12(11)2)9-23-10-14(15(19)20)18-16(21)22-17(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,18,21)(H,19,20)/t14-/m0/s1 |
| Isomeric SMILES | CC1=C(C=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C |
| Molecular Weight | 339.45 |
| Reaxy-Rn | 4151760 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4151760&ln= |
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 |
| Direct Parent | Cysteine and derivatives |
| Alternative Parents | o-Xylenes Carbamate esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cysteine or derivatives - O-xylene - Xylene - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cysteine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2305114 | Certificate of Analysis | Oct 14, 2025 | B354957 |
| L2203323 | Certificate of Analysis | Sep 16, 2025 | B354957 |
| L2203311 | Certificate of Analysis | Sep 16, 2025 | B354957 |
| L2203285 | Certificate of Analysis | Sep 16, 2025 | B354957 |
| L2203283 | Certificate of Analysis | Sep 16, 2025 | B354957 |
| B2518119 | Certificate of Analysis | Aug 01, 2022 | B354957 |
| I2518016 | Certificate of Analysis | Aug 01, 2022 | B354957 |
| Refractive Index | n20D1.55 (Predicted) |
|---|---|
| Specific Rotation[α] | α24D-33°±2°, c = 1 in methanol |
| Boil Point(°C) | 508.74° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 185.52° C (Predicted) |
| Molecular Weight | 339.500 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 339.15 Da |
| Monoisotopic Mass | 339.15 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |
