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Molecule
Sodium Tetradecyl Sulfate
CAS: 1191-50-0 · C14H30NaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1191-50-0
- Molecular Formula
- C14H30NaO4S
- Molecular Mass
- 317.45 g/mol
Identifiers
CAS Registry Number
1191-50-0
SMILES
CCCCCCCCCCCCCCOS(=O)(=O)O.[Na]
InChI Key
JHWQZRARWFDALJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);
Names and Synonyms
- Sodium Tetradecyl Sulfate Synonym
- 1-Tetradecanol, 1-(hydrogen sulfate), sodium salt (1:1) Synonym
- Sodium tetradecyl sulfate Synonym
- 1-Tetradecanol, hydrogen sulfate sodium salt Synonym
- 1-Tetradecanol, hydrogen sulfate, sodium salt Synonym
- Sodium myristyl sulfate Synonym
- Tetradecyl sodium sulfate Synonym
- Monotetradecyl sulfate sodium salt Synonym
- Texapon K 14 Synonym
- STDS Synonym
- Sodium n-tetradecyl sulfate Synonym
- Sodium tetradecane sulfate Synonym
- Tromboject Synonym
- Nikkol SMS Synonym
- Alscoap TM 30S Synonym
- FibroVein Synonym
- Nikkol SMS L Synonym
- Sodium 1-tetradecanol sulfate Synonym
- Nikkol SMS-F Synonym
- Thromboject Synonym
- Sulfate(1-), hydroxytrioxo(tetradecane)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 317.45 g/mol | CAS Common Chemistry |
| 317.447 g/mol | RDKit | |
| 318.448 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)OCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17); | CAS Common Chemistry |
| InChI Key | InChIKey=JHWQZRARWFDALJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium tetradecyl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 4.126100000000003 | RDKit |
| 4.1261 | RDKit | |
| Molar Refractivity | 84.33260000000007 cm³/mol | RDKit |
| Formal Charge | 0 | chempirical lib |
| Ring Count | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 317.17624972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 317.45 g/mol. Edit any field — others recompute live.
