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Molecule
Thiazolidine
CAS: 504-78-9 · C3H7NS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 504-78-9
- Molecular Formula
- C3H7NS
- Molecular Mass
- 89.16 g/mol
Identifiers
CAS Registry Number
504-78-9
SMILES
C1CSCN1
InChI Key
OGYGFUAIIOPWQD-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
Names and Synonyms
- Thiazolidine Synonym
- Thiazolidine Synonym
- Thiazole, tetrahydro- Synonym
- 1-Thia-3-azacyclopentane Synonym
- Tetrahydrothiazole Synonym
- 1,3-Thiazolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.16 g/mol | CAS Common Chemistry |
| 89.163 g/mol | RDKit | |
| 89.156 g/mol | chempirical lib | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.131 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Thiazolidine | CAS Common Chemistry |
| Boiling Point | 164-165 °C | CAS Common Chemistry |
| Canonical SMILES | S1CNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OGYGFUAIIOPWQD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Thiazolidine | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.28030000000000005 | RDKit |
| 0.2803 | RDKit | |
| Molar Refractivity | 25.327699999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 89.029920224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 89.16 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NS.
