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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 | CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 4-[[4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrobenzenesulfonamide |
| InChIKey | GVJKLSTZIFMTKH-UHFFFAOYSA-N |
| INCHI | 1S/C18H24N4O4S2/c1-21(2)11-10-14(13-27-15-6-4-3-5-7-15)20-17-9-8-16(28(19,25)26)12-18(17)22(23)24/h3-9,12,14,20H,10-11,13H2,1-2H3,(H2,19,25,26) |
| Isomeric SMILES | CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-] |
| Alternate CAS | 406233-35-0 |
| PubChem CID | 22179852 |
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 →| Molecular Weight | 424.500 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 424.124 Da |
| Monoisotopic Mass | 424.124 Da |
| Topological Polar Surface Area | 155.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 585.000 |
| 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 |