Basic information
- CAS
68568-79-6- Standard SMILES
CC1=NNC(=O)C1N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)O)c3s2)cc1.NCCOCCO- InChIKey
OERNZVRTOWTOMC-UHFFFAOYSA-N- Molecular formula
- C22H26N6O6S2
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.13552492
Names & identifiers
- Preferred name
- 7-Benzothiazolesulfonic acid, 2-[4-[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl]phenyl]-6-methyl-, compd. with 2-(2-aminoethoxy)ethanol (1:1)
- IUPAC
- 2-(2-aminoethoxy)ethanol;6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
Names & synonyms
EINECS 271-501-168568-79-6DTXSID308874677-Benzothiazolesulfonic acid, 6-methyl-2-(4-((3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-, compound with 2-(2-aminoethoxy)ethanol (1:1)RefChem:105826DTXCID901026761NS001268312-(4-((4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2-(2-aminoethoxy)ethanol (1:1)6-Methyl-2-{4-[(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid--2-(2-aminoethoxy)ethan-1-ol (1/1)
Database identifiers
- CAS
68568-79-6- PubChem CID
- 110600
- DTXSID
DTXSID30887467- EC Number
- 271-501-1
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 836
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Benzothiazolesulfonic acid, 2-[4-[2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl]phenyl]-6-methyl-, compd. with 2-(2-aminoethoxy)ethanol (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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