1. Primary Information
| English name: | Pifithrin-alpha |
| CAS No.: | 63208-82-2 |
| Molecular formula: | C16H19BRN2OS |
| Molecular weight: | 367.3 g/mol |
| SMILES: | CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N.Br |
| Structural class: | |
| Other identifiers: |
1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)- benzothiazolyl)ethanone hydrobromide 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)ethanone hydrobromide (1:1) 2-(2-imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone ethanone, 1-(4-methylphenyl)-2-(4,5,6,7-tetrahydro-2-imino-3(2H)-benzothiazolyl)-, hydrobromide (1:1) PFT alpha |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 268 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 358 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 492 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 896 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 1472 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide
4.2 InChI
InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H
4.3 InChIKey
HAGVCKULCLQGRF-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N.Br
4.5 Isomeric SMILES
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