≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CSCCC1C(=O)NC2=CC=CC=C2C(=O)N1 |
|---|---|
| IUPAC Name | (3R)-3-(2-methylsulfanylethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| InChIKey | CAUGDXQJTRCWPS-SNVBAGLBSA-N |
| INCHI | 1S/C12H14N2O2S/c1-17-7-6-10-12(16)13-9-5-3-2-4-8(9)11(15)14-10/h2-5,10H,6-7H2,1H3,(H,13,16)(H,14,15)/t10-/m1/s1 |
| Isomeric SMILES | CSCC[C@@H]1C(=O)NC2=CC=CC=C2C(=O)N1 |
| PubChem CID | 28921783 |
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 | Organoheterocyclic compounds |
| Class | Benzodiazepines |
| Subclass | 1,4-benzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-benzodiazepines |
| Alternative Parents | Alpha amino acids and derivatives Benzenoids Vinylogous amides Secondary carboxylic acid amides Lactams Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,4-benzodiazepine - Alpha-amino acid or derivatives - Benzenoid - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. |
| External Descriptors | Not available |
| Molecular Weight | 250.320 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 250.078 Da |
| Monoisotopic Mass | 250.078 Da |
| Topological Polar Surface Area | 83.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| 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 |
![(3R)-3-[2-(methylthio)ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione - ≥97% , CAS No.1217780-31-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)