Basic information
- CAS
58232-39-6- Standard SMILES
CN1C(=O)c2cccc3c(N)c(S(=O)(=O)O)cc(c23)C1=O- InChIKey
TWYFYMSPRMAKNI-UHFFFAOYSA-N- Molecular formula
- C13H10N2O5S
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.0310426
Names & identifiers
- Preferred name
- 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
- IUPAC
- 6-amino-2-methyl-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
- English name
- 6-amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acid
- Molecular formula
- C13H10N2O5S
- Molecular weight
- 306.29
Names & synonyms
58232-39-66-amino-2-methyl-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinoline-5-sulfonic acid6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid6-amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonic acidEINECS 261-174-3ST678RJ2VDDTXSID10206970TWYFYMSPRMAKNI-UHFFFAOYSA-NSTL325374AKOS003211957DB-296459NS00033888
Show more names
6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benzo[de]isoquinoline-5-sulfonic acid1H-Benz[de]isoquinoline-5-sulfonic acid, 6-amino-2,3-dihydro-2-methyl-1,3-dioxo-
ST509773756-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulfonic acid
Database identifiers
- CAS
58232-39-6- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 584
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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