analytical standard, ≥95% Analytical standard 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 | CCCNC1CCC2=C(C1)SC(=N2)NCCC |
|---|---|
| IUPAC Name | (6S)-2-N,6-N-dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine |
| InChIKey | NSHVRDSQVRQBFT-JTQLQIEISA-N |
| INCHI | 1S/C13H23N3S/c1-3-7-14-10-5-6-11-12(9-10)17-13(16-11)15-8-4-2/h10,14H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1 |
| Isomeric SMILES | CCCN[C@H]1CCC2=C(C1)SC(=N2)NCCC |
| Alternate CAS | 1246815-83-7 |
| PubChem CID | 56604951 |
| Molecular Weight | 253.41 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Secondary amines |
| Direct Parent | Secondary alkylarylamines |
| Alternative Parents | Aralkylamines 2-amino-1,3-thiazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aralkylamine - Secondary aliphatic/aromatic amine - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl). |
| External Descriptors | Not available |
| Molecular Weight | 253.410 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 253.161 Da |
| Monoisotopic Mass | 253.161 Da |
| Topological Polar Surface Area | 65.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 |
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