Basic information
- CAS
25738-33-4- Standard SMILES
Cc1ccc2nc(-c3ccc4nc(-c5ccc(N=Nc6ccc(-c7nc8ccc(-c9nc%10ccc(C)c(S(=O)(=O)O)c%10s9)cc8s7)cc6)cc5)sc4c3)sc2c1S(=O)(=O)O- InChIKey
YBAQKFWZIMWRCK-UHFFFAOYSA-N- Molecular formula
- C42H26N6O6S6
- Average molar mass
- 903.1 g/mol
- Monoisotopic mass
- 902.02380961
Overview
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Names & identifiers
- Preferred name
- Direct Yellow 29
- IUPAC
- 6-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonic acid
Names & synonyms
Direct Yellow 296537-66-2C.I. Direct Yellow 29, disodium saltNSC3262086-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonic acidDTXSID20110332025738-33-4C.I. Direct Yellow 29 (*disodium salt*)2, 6'-Dibenzothiazole-7-sulfonic acid, 2',2'''-(azodi-4, 1-phenylene)bis(6-methyl-{[2,6'-Bibenzothiazole]-7-sulfonic} acid, 2',2'''-(azodi-4, {1-phenylene)bis[6-methyl-,} disodium salt2, 6'-Dibenzothiazole-7-sulfonic acid, 2',2'''-(azodi-4, 1-phenylene)bis(6-methyl-, disodium salt6-methyl-2-[2-[4-[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]azophenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonic acid
Show more names
6-Methyl-2a(2)-[4-[2-[4-(6-methyl-7-sulfo[2,6a(2)-bibenzothiazol]-2a(2)-yl)phenyl]diazenyl]phenyl][2,6a(2)-bibenzothiazole]-7-sulfonic acid
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,650
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (10 of 10) of all reports.
Not Classified
Aggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: [2,6'-Bibenzothiazole]-7-sulfonic acid, 2',2'''-(azodi-4,1-phenylene)bis[6-methyl-, disodium salt
Other Safety InformationIMAP assessments - [2,6'-Bibenzothiazole]-7-sulfonic acid, 2',2'''-(azodi-4,1-phenylene)bis[6-methyl-, disodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Related reactions
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Compound notes
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