6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt | SBID = 247 | Compound |
Structure
Molecular Properties
| Interactions: | 15 | ||
| PubChem TPSA/Å2: | 77.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C17H14NNaO3S | ||
| M / g/mol: | 335.353 | ||
| Complexity: | 471.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, dye, charged
- Name: 6-(p-toluidino)-2-naphthalenesulfonic acid sodium salt
- Preferred Abbreviation: 2,6-TNS
- IUPAC Name: sodium;6-(4-methylanilino)naphthalene-2-sulfonate
- CAS: 53313-85-2
- CID: 23681042
- InChiKey: QZZGQOXRGFDEJP-UHFFFAOYSA-M
- InChi: InChI=1S/C17H15NO3S.Na/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1
- CanoSmiles: CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-].[Na+]
- IsoSmiles: CC1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-].[Na+]
