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Molecule
2,2-Dimethylthiazolidine
CAS: 19351-18-9 · C5H11NS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19351-18-9
- Molecular Formula
- C5H11NS
- Molecular Mass
- 117.22 g/mol
Identifiers
CAS Registry Number
19351-18-9
SMILES
CC1(C)NCCS1
InChI Key
SNPQRYOQWLOTFA-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3
Names and Synonyms
- 2,2-Dimethylthiazolidine Synonym
- Thiazolidine, 2,2-dimethyl- Synonym
- 2,2-Dimethylthiazolidine Synonym
- 2,2-Dimethyl-1,3-thiazolidine Synonym
- 2,2-Dimethyltetrahydrothiazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.22 g/mol | CAS Common Chemistry |
| 117.21700000000001 g/mol | RDKit | |
| 117.217 g/mol | RDKit | |
| 117.21 g/mol | chempirical lib | |
| Canonical SMILES | S1CCNC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SNPQRYOQWLOTFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2-Dimethylthiazolidine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.0589 | RDKit |
| Molar Refractivity | 34.539699999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 117.06122035199999 g/mol | RDKit |
| Boiling Point | 61 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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.
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MW = 117.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NS.
