sodium;pentane-1-sulfonate | SBID = 2704 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 65.6 | ||
| Ertl TPSA/Å2: | 57.2 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 0.9 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C5H11NaO3S | ||
| M / g/mol: | 174.2 | ||
| Complexity: | 147.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: surfactant, typical guest
- Name: sodium;pentane-1-sulfonate
- Preferred Abbreviation: sodium 1-pentanesulfonate
- IUPAC Name: sodium;pentane-1-sulfonate
- CAS: 207605-40-1
- CID: 23664617
- InChiKey: ROBLTDOHDSGGDT-UHFFFAOYSA-M
- InChi: InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
- CanoSmiles: CCCCCS(=O)(=O)[O-].[Na+]
- IsoSmiles: CCCCCS(=O)(=O)[O-].[Na+]
