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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
Names and Synonyms:
Thiazolidine
Thiazolidine
Thiazole, tetrahydro-
1-Thia-3-azacyclopentane
Tetrahydrothiazole
1,3-Thiazolidine
Identifiers:
SMILES:
C1CSCN1
InChI:
InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
Key Properties
Boiling Point
164-165 °C
CAS Common Chemistry
Density
1.13 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.16 g/mol | CAS Common Chemistry |
| 89.163 g/mol | RDKit | |
| 89.029920224 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.131 g/cm3 @ Temp: 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 |
| Molar Refractivity | 25.327699999999997 | RDKit |
