1. Primary Information
| English name: | Stains-all |
| CAS No.: | 7423-31-6 |
| Molecular formula: | C30H27BRN2S2 |
| Molecular weight: | 559.6 g/mol |
| SMILES: | CCN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)C)SC5=C1C6=CC=CC=C6C=C5.[Br-] |
| Structural class: | |
| Other identifiers: |
3,3'-diethyl-9-methyl-4,5,4',5'-dibenzothiacarbocyanine 4,5,4',5'-dibenzo-3,3'-diethyl-9-methyl-thiacarbocyanine bromide stains-all stains-all tosylate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 250mg | 97% | 320 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 97% | 880 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2Z)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole;bromide
4.2 InChI
InChI=1S/C30H27N2S2.BrH/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1
4.3 InChIKey
MPBRYMWMMKKRGC-UHFFFAOYSA-M
4.4 Canonical SMILES
CCN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)C)SC5=C1C6=CC=CC=C6C=C5.[Br-]
4.5 Isomeric SMILES
CCN1/C(=C/C(=C/C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5.[Br-]
