Basic information
- CAS
16249-86-8- Standard SMILES
Cc1ccc2nc(-c3ccc4nc(C5C(=O)c6ccccc6C5=O)ccc4c3)sc2c1S(=O)(=O)O- InChIKey
VAKCCPVQFSLMDM-UHFFFAOYSA-N- Molecular formula
- C26H16N2O5S2
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.05006396
Names & identifiers
- Preferred name
- 2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl)-6-methylbenzothiazole-7-sulphonic acid
- IUPAC
- 2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
- English name
- 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonic acid
- Molecular formula
- C26H16N2O5S2
- Molecular weight
- 500.55
Names & synonyms
16249-86-82-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl)-6-methylbenzothiazole-7-sulphonic acid2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonic acid2-(2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl)-6-methylbenzo[d]thiazole-7-sulfonic acid7-Benzothiazolesulfonic acid, 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl]-6-methyl-VAKCCPVQFSLMDM-UHFFFAOYSA-NEINECS 240-360-8DTXSID701673762-[2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acidNS000253072-[2-[(2,3-Dihydro-1,3-dioxo-1H-inden)-2-yl]quinolin-6-yl]-6-methyl-7-benzothiazolesulfonic acid
Show more names
2-[2-[(2,3-Dihydro-1,3-dioxo-1H-inden)-2-yl]-6-quinolinyl]-6-methyl-7-benzothiazolesulfonic acid2-[2-(1,3-Dioxo-2,3-dihydro-1H-indene-2-yl)quinoline-6-yl]-6-methyl-7-benzothiazolesulfonic acid
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 943
Physicochemical properties
- Density
- 1.543 · 1.543±0.06 g/cm3(Predicted)
- pka
- -1.24 · -1.24±0.20(Predicted)
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
青岛杰得佳新材料科技有限公司0532-68077006 13658692156 · [email protected]
青岛杰百奥助剂有限公司053268077006 17685522406 · [email protected]
Eastar Chemical Corp+86-024-25362369-8022 +86-13998381317 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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