sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate | SBID = 2131 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 93.5 | ||
| Ertl TPSA/Å2: | 85.16 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 3.33 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C14H14N3NaO3S | ||
| M / g/mol: | 327.34 | ||
| Complexity: | 448.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
- Preferred Abbreviation: METHYL ORANGE
- IUPAC Name: sodium;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
- CAS:
- CID: 23673835
- InChiKey: STZCRXQWRGQSJD-UHFFFAOYSA-M
- InChi: InChI=1S/C14H15N3O3S.Na/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;/h3-10H,1-2H3,(H,18,19,20);/q;+1/p-1
- CanoSmiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
- IsoSmiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]
