1. Primary Information
| English name: | 7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[e][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,7-diamine |
| CAS No.: | 9025-82-5 |
| Molecular formula: | C62H79N15S5 |
| Molecular weight: | 1194.7 g/mol |
| SMILES: | CN(C)C1CCC2=CC3=C(C=C2C1)N=C(S3)N.CN(C)C1CCC2=CC3=C(C=C2C1)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)N=C(S3)N.CN(C)C1CC2=CC3=C(C=C2C1)SC(=N3)N |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100U | BR，20u/mg | 1440 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | 来源橘青霉菌，12000U/g | 152 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | 来源橘青霉菌，12000U/g | 384 | -20℃ | in stock | - |
| Kehua Intelligence | 100g | 来源橘青霉菌，12000U/g | 720 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[e][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzothiazole-2,7-diamine;6-N,6-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,6-diamine;7-N,7-N-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazole-2,7-diamine
4.2 InChI
InChI=1S/2C13H17N3S.3C12H15N3S/c1-16(2)10-4-3-8-7-12-11(6-9(8)5-10)15-13(14)17-12;1-16(2)10-4-3-8-6-11-12(7-9(8)5-10)17-13(14)15-11;1-15(2)9-3-7-5-10-11(6-8(7)4-9)16-12(13)14-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)14-12(13)16-10;1-15(2)8-5-7-3-4-10-11(9(7)6-8)16-12(13)14-10/h2*6-7,10H,3-5H2,1-2H3,(H2,14,15);5-6,9H,3-4H2,1-2H3,(H2,13,14);2*3-4,8H,5-6H2,1-2H3,(H2,13,14)
4.3 InChIKey
WGMBBKSEXJMGFF-UHFFFAOYSA-N
4.4 Canonical SMILES
CN(C)C1CCC2=CC3=C(C=C2C1)N=C(S3)N.CN(C)C1CCC2=CC3=C(C=C2C1)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)SC(=N3)N.CN(C)C1CC2=C(C1)C3=C(C=C2)N=C(S3)N.CN(C)C1CC2=CC3=C(C=C2C1)SC(=N3)N
4.5 Isomeric SMILES
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