≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C1CC(=O)N(C1=O)OC(=O)CCSSCCC(=O)NCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3 |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[[3-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propanoate |
| InChIKey | LWPHUVGDBNUVHA-GXZWQRSESA-N |
| INCHI | 1S/C22H33N5O7S3/c28-16(4-2-1-3-15-21-14(13-35-15)25-22(33)26-21)23-9-10-24-17(29)7-11-36-37-12-8-20(32)34-27-18(30)5-6-19(27)31/h14-15,21H,1-13H2,(H,23,28)(H,24,29)(H2,25,26,33)/t14-,15-,21-/m0/s1 |
| Isomeric SMILES | C1CC(=O)N(C1=O)OC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 |
| PubChem CID | 71312116 |
| Molecular Weight | 575.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Biotin and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biotin and derivatives |
| Alternative Parents | Thienoimidazolidines Imidazolidinones N-acyl amines Pyrrolidine-2-ones Dicarboximides Thiophenes Thiolanes Lactams Ureas Dialkyldisulfides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Sulfenyl compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Biotin_derivative - Thienoimidazolidine - Fatty amide - Imidazolidinone - N-acyl-amine - Pyrrolidone - 2-pyrrolidone - Fatty acyl - Thiophene - Thiolane - Imidazolidine - Dicarboximide - Pyrrolidine - Lactam - Urea - Organic disulfide - Secondary carboxylic acid amide - Carboxamide group - Dialkyldisulfide - Carboxylic acid derivative - Dialkylthioether - Azacycle - Thioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring. |
| 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 |
|---|---|---|---|
 L2419602 | Certificate of Analysis | Nov 29, 2024 | N339222 |
| L2419604 | Certificate of Analysis | Nov 29, 2024 | N339222 |
| L2419613 | Certificate of Analysis | Nov 29, 2024 | N339222 |
| L2419626 | Certificate of Analysis | Nov 29, 2024 | N339222 |
| L2419667 | Certificate of Analysis | Nov 29, 2024 | N339222 |
| Melt Point(°C) | 129 - 131 °C |
|---|---|
| Molecular Weight | 575.700 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 17 |
| Exact Mass | 575.154 Da |
| Monoisotopic Mass | 575.154 Da |
| Topological Polar Surface Area | 239.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 862.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
