1. Primary Information
| English name: | 6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt |
| CAS No.: | 30931-67-0 |
| Molecular formula: | C18H24N6O6S4 |
| Molecular weight: | 548.7 g/mol |
| SMILES: | CCN1C2=C(C=C(C=C2)S(=O)(=O)O)SC1=NN=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC.N.N |
| Structural class: | |
| Other identifiers: |
2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) 2,2'-azino-di-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, diammonium salt 2,2'-azinobis(3-ethylbenzothiazoline)-6-sulfonic acid |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1g | 超纯，98% | 132 | RT | in stock | - |
| Kehua Intelligence | 5g | 超纯，98% | 424 | RT | in stock | - |
| Kehua Intelligence | 25g | 超纯，98% | 1568 | RT | in stock | - |
| Kehua Intelligence | 100g | 超纯，98% | 5440 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
azane;(2Z)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid
4.2 InChI
InChI=1S/C18H18N4O6S4.2H3N/c1-3-21-13-7-5-11(31(23,24)25)9-15(13)29-17(21)19-20-18-22(4-2)14-8-6-12(32(26,27)28)10-16(14)30-18;;/h5-10H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b19-17-,20-18-;;
4.3 InChIKey
OHDRQQURAXLVGJ-AXMZSLBLSA-N
4.4 Canonical SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)O)SC1=NN=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)O)CC.N.N
4.5 Isomeric SMILES
CCN1/C(=N/N=C/2\SC3=C(N2CC)C=CC(=C3)S(=O)(=O)O)/SC4=C1C=CC(=C4)S(=O)(=O)O.N.N
