Basic information
- CAS
24353-00-2- Standard SMILES
COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1N=Nc1c(C)nn(-c2ccc(S(=O)(=O)O)cc2)c1N- InChIKey
BPJPCVRJAVFDHM-UHFFFAOYSA-N- Molecular formula
- C19H21N5O10S3
- Average molar mass
- 575.6 g/mol
- Monoisotopic mass
- 575.0450554
Names & identifiers
- Preferred name
- p-(5-Amino-4-((2-methoxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid
- IUPAC
- 4-[5-amino-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methylpyrazol-1-yl]benzenesulfonic acid
- English name
- p-[5-amino-4-[[2-methoxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonic acid
- Molecular formula
- C19H21N5O10S3
- Molecular weight
- 575.59
Names & synonyms
24353-00-2EINECS 246-191-6p-(5-Amino-4-((2-methoxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acidBPJPCVRJAVFDHM-UHFFFAOYSA-NDTXSID401105041NS000507144-[5-Amino-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-1H-pyrazol-1-yl]benzenesulfonic acid4-[5-Amino-3-methyl-4-[[2-methoxy-5-[(2-sulfooxyethyl)sulfonyl]phenyl]azo]-1H-pyrazol-1-yl]benzenesulfonic acidp-[5-Amino-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulfonic acidp-[5-amino-4-[[2-methoxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonic acidBenzenesulfonic acid, 4-[5-amino-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-1H-pyrazol-1-yl]-
Database identifiers
- CAS
24353-00-2- PubChem CID
- 90478
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- -3.84 · -3.84±0.18(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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