Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in Water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A glutathione-synthesis inhibitor that activates oxidative stress.
| Canonical Smiles | CCCCS(=N)(=O)CCC(C(=O)O)N |
|---|---|
| IUPAC Name | (2S)-2-amino-4-(butylsulfonimidoyl)butanoic acid |
| InChIKey | KJQFBVYMGADDTQ-CVSPRKDYSA-N |
| INCHI | 1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-,14?/m0/s1 |
| Isomeric SMILES | CCCCS(=N)(=O)CC[C@@H](C(=O)O)N |
| WGK Germany | 3 |
| RTECS | EK7713440 |
| Molecular Weight | 222.31 |
| Beilstein | 2367136 |
| Reaxy-Rn | 2367136 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2367136&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 - Alpha amino acids |
| Direct Parent | L-alpha-amino acids |
| Alternative Parents | Thia fatty acids Carbo-azosulfones Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | L-alpha-amino acid - Thia fatty acid - Fatty acid - Fatty acyl - Carbo-azosulfone - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
| External Descriptors | Not available |
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| Melt Point(°C) | 234-235°C |
|---|---|
| Molecular Weight | 222.310 g/mol |
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 222.104 Da |
| Monoisotopic Mass | 222.104 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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