[2,6':2',6''-Terbenzothiazole]-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-
Basic information
- CAS
47812-48-6- Standard SMILES
Cc1ccc2nc(-c3ccc4nc(-c5ccc6nc(-c7ccc(N)cc7)sc6c5)sc4c3)sc2c1S(=O)(=O)O- InChIKey
NKNPWUKNWAVDGC-UHFFFAOYSA-N- Molecular formula
- C28H18N4O3S4
- Average molar mass
- 586.7 g/mol
- Monoisotopic mass
- 586.02617514
Names & identifiers
- Preferred name
- [2,6':2',6''-Terbenzothiazole]-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-
- IUPAC
- 2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
- English name
- 2''-(4-Aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulfonic acid
- Molecular formula
- C28H18N4O3S4
- Molecular weight
- 586.73
Names & synonyms
(2,6':2',6''-Terbenzothiazole)-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-DTXSID5068491[2,6':2',6''-Terbenzothiazole]-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-RefChem:550960DTXCID604058547812-48-62-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acidSCHEMBL15940004NKNPWUKNWAVDGC-UHFFFAOYSA-N3~2~-(4-Aminophenyl)-1~6~-methyl[1~2~,2~6~:2~2~,3~6~-ter-1,3-benzothiazole]-1~7~-sulfonic acid2''-(4-Aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulfonic acid
Database identifiers
- CAS
47812-48-6- PubChem CID
- 82389
- DTXSID
DTXSID5068491- Nikkaji
- J422.508B
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 992
Physicochemical properties
- EPA Substance Registry System
- 2 · [2,6':2',6''-Terbenzothiazole]-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl- (47812-48-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[2,6':2',6''-Terbenzothiazole]-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-: INACTIVE
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Related reactions
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Compound notes
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