7-Benzothiazolesulfonic acid, 2-[4-[2-[4,5-dihydro-1-(hydroxymethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-, compd. with 2,2'-iminobis[ethanol] (1:1)
Basic information
- CAS
65072-43-7- Standard SMILES
CC1=NN(CO)C(=O)C1N=Nc1ccc(-c2nc3ccc(C)c(S(=O)(=O)O)c3s2)cc1.OCCNCCO- InChIKey
WKOXVJYFUTURSL-UHFFFAOYSA-N- Molecular formula
- C23H28N6O7S2
- Average molar mass
- 564.6 g/mol
- Monoisotopic mass
- 564.1460896
Names & identifiers
- Preferred name
- 7-Benzothiazolesulfonic acid, 2-[4-[2-[4,5-dihydro-1-(hydroxymethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-, compd. with 2,2'-iminobis[ethanol] (1:1)
- IUPAC
- 2-(2-hydroxyethylamino)ethanol;2-[4-[[1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Names & synonyms
EINECS 265-372-065072-43-7DTXSID00886720RefChem:105822DTXCID9010260422-(4-((1-(Hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2'-iminobis(ethanol) (1:1)2-(4-{[1-(Hydroxymethyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}phenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
Database identifiers
- CAS
65072-43-7- PubChem CID
- 103138
- DTXSID
DTXSID00886720- EC Number
- 265-372-0
Properties
Computed structural properties
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 881
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Benzothiazolesulfonic acid, 2-[4-[2-[4,5-dihydro-1-(hydroxymethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-, compd. with 2,2'-iminobis[ethanol] (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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